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Theoretische Chemie

Professor Dr. Michael Baer
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2002 - 30.09.2002	Heimatinstitut Fritz Haber Research Center for Molecular Dynamics Hebrew University of Jerusalem - 91904 Jerusalem

Professor Dr. Michael Baer

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2002 - 30.09.2002

Heimatinstitut

Fritz Haber Research Center for Molecular Dynamics
Hebrew University of Jerusalem
-
91904 Jerusalem

Professor Dr. Biman Bagchi
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2021 - 31.03.2022 Projektbeschreibung des Gastgebers Professor Bagchi is a leading international figure in reaction dynamics and molecular relaxation in liquids. Over the last three decades, he developed new theories and carried out pioneering simulations that greatly advanced our understanding of the liquid phase including solvation dynamics, energy and electron transfer, dielectric relaxation and ionic mobility to name but a few. In Germany, he intends to elucidate dielectric effects and chemical reactions in nanoconfined liquids.	Heimatinstitut Solid State and Structural Chemistry Unit Indian Institute of Science (IISC) Sir C.V. Raman Avenue 560012 Bengaluru

Professor Dr. Biman Bagchi

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2021 - 31.03.2022

Projektbeschreibung des Gastgebers

Heimatinstitut

Solid State and Structural Chemistry Unit
Indian Institute of Science (IISC)
Sir C.V. Raman Avenue
560012 Bengaluru

Dr. Paul S. Bagus
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.1997 - 30.09.1997	Heimatinstitut Department of Chemistry University of North Texas 76203 Denton

Dr. Paul S. Bagus

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.1997 - 30.09.1997

Heimatinstitut

Department of Chemistry
University of North Texas
76203 Denton

Professor Dr. Mu-Hyun Baik
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.12.2018 - 31.01.2019 Projektbeschreibung des Gastgebers Professor Baik is an international expert in the investigation of catalytic mechanisms of organometallic reactions, where he has made important contributions to various Carbon–hydrogen activation reactions. For example, he recently discovered an lridium-catalyst that can catalytically borylate methane with unprecedented efficiency. During his stay in Germany, Professor Baik will study the complexation of iron by receptor molecules by means of theoretical calculations and modelling.	Heimatinstitut Department of Chemistry Korea Advanced Institute of Science and Technology (KAIST) 291 Daehak-ro, Yuseong-gu 34141 Daejeon

Professor Dr. Mu-Hyun Baik

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.12.2018 - 31.01.2019

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Korea Advanced Institute of Science and Technology (KAIST)
291 Daehak-ro, Yuseong-gu
34141 Daejeon

Professor Dr. Andre Dieter Bandrauk
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2017 - 30.09.2017 Projektbeschreibung des Gastgebers André Dieter Bandrauk, FRSC, FAAAS (Canada Research Chair in Computational Chemistry, Université de Sherbrooke, Québec, Canada ) receives the Alexander von Humboldt research award for: his pioneering work on the quantum theory of attosecond chemis-try (1 as = 0.000 000 000 000 000 001 sec). This includes his inno-vative, stimulating prediction for the generation of attosecond laser pulses from molecules, and for their applications to analysis and control of electron dynamics in molecules. This is a new frontier of science, with broad potential e.g. for chemistry, biology, material science, quantum computing, as it is the next "quantum" step after femtosecond chemistry (A. H. Ze-wail, Nobel laureate 1999) which focused on control of nuclear motion only (1 fs = 1000 as). The goal of the planned cooperation with the theoretical chemistry group of Jörn Manz (Freie Universität Berlin) is to design the laser pulses and explore by modelling their optimal uses for selective coupled electronic and nuclear motions, e.g. electric ring currents in vibrating molecules and general control of electronic effects in synthetic photochemistry.	Heimatinstitut Department of Chemistry Universite de Sherbrooke 2500 Boul. Universite J1K 2R1 Sherbrooke

Professor Dr. Andre Dieter Bandrauk

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2017 - 30.09.2017

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Universite de Sherbrooke
2500 Boul. Universite
J1K 2R1 Sherbrooke

Professor Dr. Rodney J. Bartlett
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.04.2016 - 31.05.2016 Projektbeschreibung des Gastgebers Professor Bartlett is well known internationally for his outstanding research in theoretical chemistry. He has made pioneering contributions to coupled cluster and many-body perturbation theory. His methods have become the gold standard in accurate quantum chemistry. During his stay in Germany, he intends to explore the application of coupled cluster methods to large complex systems including enzymes.	Heimatinstitut Quantum Theory Project University of Florida 2338 New Physics Building 32611-8435 Gainesville

Professor Dr. Rodney J. Bartlett

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2016 - 31.05.2016

Projektbeschreibung des Gastgebers

Heimatinstitut

Quantum Theory Project
University of Florida
2338 New Physics Building
32611-8435 Gainesville

Professor Dr. Weston Th. Borden
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.10.1997 - 31.12.1997	Heimatinstitut Department of Chemistry University of North Texas 76203 Denton

Professor Dr. Weston Th. Borden

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.10.1997 - 31.12.1997

Heimatinstitut

Department of Chemistry
University of North Texas
76203 Denton

Professor Dr. Joel M. Bowman
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.2020 - 31.05.2020 Projektbeschreibung des Gastgebers Professor Bowman is one of the founders of theoretical reaction dynamics. He has contributed significantly to the development of both quantum and classical methods and uses both to extract deep understanding of the processes he studies. During his stay in Germany he intends to extend his work to problems in surface chemistry.	Heimatinstitut Department of Chemistry Emory University 1515 Dickey Drive 30322 Atlanta

Professor Dr. Joel M. Bowman

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.2020 - 31.05.2020

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Emory University
1515 Dickey Drive
30322 Atlanta

Professor Dr. Robert J. Buenker
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.1973 - 31.08.1975	Heimatinstitut Fach Theoretische Chemie Bergische Universität Wuppertal Gaußstr. 20 42119 Wuppertal

Professor Dr. Robert J. Buenker

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.1973 - 31.08.1975

Heimatinstitut

Fach Theoretische Chemie
Bergische Universität Wuppertal
Gaußstr. 20
42119 Wuppertal

Dr. Philip Robert Bunker
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2004 - 30.09.2004	Heimatinstitut Steacie Institute for Molecular Sciences National Research Council of Canada K1A OR6 Ottawa

Dr. Philip Robert Bunker

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2004 - 30.09.2004

Heimatinstitut

Steacie Institute for Molecular Sciences
National Research Council of Canada
K1A OR6 Ottawa

Professor Dr. Tucker Carrington
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.01.2022 - 31.03.2022 Projektbeschreibung des Gastgebers Professor Carrington is one of the world’s leading experts in the development and application of quantum dynamics methods. He is particularly interested in the accurate investigation of vibrational spectra. He continues to contribute key ideas to the development of new numerical and theoretical techniques which facilitate accurate calculations for molecular systems of increasing size. During his stay in Germany, he will pursue new ideas for studying quantum dynamics in high dimensionality.	Heimatinstitut Department of Chemistry Queen's University at Kingston 90 Bader Lane K7L 3N6 Kingston

Professor Dr. Tucker Carrington

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.01.2022 - 31.03.2022

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Queen's University at Kingston
90 Bader Lane
K7L 3N6 Kingston

Professor Dr. Enrico Clementi
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.10.2001 - 31.10.2001 Projektbeschreibung des Gastgebers Enrico Clementi has been instrumental in the development of computational chemistry. Since the advent of electronic computers, he is a pioneer in the quantum chemical calculation of the electronic structure of molecules, from diatomics to large systems of biological relevance, and in the development and use of Monte Carlo and molecular dynamics programs for the determination of macroscopic chemical properties. His creativity, enthusiasm and dedication has inspired the field over the last 40 years.	Heimatinstitut Institut de Chimie Universite de Strasbourg 3, Rue de l'Université 67084 Strasbourg

Professor Dr. Enrico Clementi

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.10.2001 - 31.10.2001

Projektbeschreibung des Gastgebers

Heimatinstitut

Institut de Chimie
Universite de Strasbourg
3, Rue de l'Université
67084 Strasbourg

Professor Dr. Robert Alexandrovich Evarestov
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.05.2005 - 31.07.2005	Heimatinstitut Department of Chemistry St. Petersburg University University Prospekt 26 198504 St. Petersburg

Professor Dr. Robert Alexandrovich Evarestov

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.05.2005 - 31.07.2005

Heimatinstitut

Department of Chemistry
St. Petersburg University
University Prospekt 26
198504 St. Petersburg

Dr. Stefano Fabris
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.11.2015 - 30.06.2016	Heimatinstitut DEMOCRITOS Simulation Center, Istituto Officina dei Materiali Consiglio Nazionale delle Ricerche (CNR) Via Bonomea 265 34136 Trieste

Dr. Stefano Fabris

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2015 - 30.06.2016

Heimatinstitut

DEMOCRITOS Simulation Center, Istituto Officina dei Materiali
Consiglio Nazionale delle Ricerche (CNR)
Via Bonomea 265
34136 Trieste

Professor Dr. Antonio Frontera
Fachgebiet: Theoretische Chemie: Moleküle, Materialien, Oberflächen In Deutschland: 01.06.2023 - 31.12.2023 Projektbeschreibung des Gastgebers Professor Frontera, an international leading authority in applied theoretical chemistry, is developing new bonding concepts at the borderline of molecular and supramolecular main group and transition metal chemistry. He has made inspiring contributions in various fields such as reactive intermediates, catalysis, carbohydrates, anion recognition in enzyme chemistry, crystal engineering, battery research and weak interactions between metals. He has developed the concepts of “tetrel-bonding”, “σ-hole-π interactions“ as well as „spodium bonds“ which have enabled to gain further insight into new modes of weak interactions. In Germany, he will continue his work on catalysis and supramolecular chemistry with special emphasis on weak interactions	Heimatinstitut Departament de Quimica Universitat de Les Illes Balears Cra. de Valldemossa, km 7.5. Palma 07122 Palma de Mallorca

Professor Dr. Antonio Frontera

Fachgebiet:

Theoretische Chemie: Moleküle, Materialien, Oberflächen

In Deutschland:

01.06.2023 - 31.12.2023

Projektbeschreibung des Gastgebers

Heimatinstitut

Departament de Quimica
Universitat de Les Illes Balears
Cra. de Valldemossa, km 7.5. Palma
07122 Palma de Mallorca

Professorin Dr. Laura Gagliardi
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2020 - 30.09.2020 Projektbeschreibung des Gastgebers Professor Gagliardi is a leading quantum-chemist. She has made seminal contributions to the development of electronic structure methods and their use for understanding complex chemical systems, in particular in the challenging area of strong correlation. Currently, she is developing improved variants of multi-reference methods that extend their range of applicability to larger and more complex molecules. During her stay in Germany, she will work on multi-metallic transition metal compounds.	Heimatinstitut Department of Chemistry University of Minnesota 207 Pleasant St. SE 55455-0431 Minneapolis

Professorin Dr. Laura Gagliardi

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2020 - 30.09.2020

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of Minnesota
207 Pleasant St. SE
55455-0431 Minneapolis

Professor Dr. Julian Gale
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2003 - 31.10.2003 Projektbeschreibung des Gastgebers Dr. Julian Gale's work centers on the development and use of atomistic models in order to understand the relationship between the structure of solids and their properties. He has developed a widely-used program based on an empirical description of interatomic interactions (GULP) and is major contributor to a program based on a parameter-free, quantum mechanical approach (SIESTA). Applications include the modelling of catalytic processes and those occuring in batteries, thereby helping to understand the underlying reactions.	Heimatinstitut School of Science Curtin University 6845 Perth

Professor Dr. Julian Gale

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2003 - 31.10.2003

Projektbeschreibung des Gastgebers

Heimatinstitut

School of Science
Curtin University
6845 Perth

Professor Dr. Franco A. Gianturco
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2006 - 31.08.2006	Heimatinstitut Institut für Ionenphysik und Angewandte Physik Universität Innsbruck Technikerstr. 25 6020 Innsbruck

Professor Dr. Franco A. Gianturco

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2006 - 31.08.2006

Heimatinstitut

Institut für Ionenphysik und Angewandte Physik
Universität Innsbruck
Technikerstr. 25
6020 Innsbruck

Professor Dr. Hua Guo
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.2022 - 31.08.2022 Projektbeschreibung des Gastgebers Professor Guo is a leading theoretical chemist. He has made seminal contributions to spectroscopy, reaction dynamics, heterogeneous catalysis and enzymatic catalysis and he is well known for developing and applying efficient and accurate algorithms to solve the nuclear Schrödinger equation. During his stay in Germany, he intends to extend his theoretical treatment of catalytic reaction on metal surfaces.	Heimatinstitut Department of Chemistry and Chemical Biology University of New Mexico 300 Terrace St. NE 87131 Albuquerque

Professor Dr. Hua Guo

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.2022 - 31.08.2022

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry and Chemical Biology
University of New Mexico
300 Terrace St. NE
87131 Albuquerque

Professor Dr. Hendrik F. Hameka
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.1981 - 30.06.1982	Heimatinstitut Department of Chemistry University of Pennsylvania (UPenn) 231 South 34th Street, Room 544 19104-6323 Philadelphia

Professor Dr. Hendrik F. Hameka

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.1981 - 30.06.1982

Heimatinstitut

Department of Chemistry
University of Pennsylvania (UPenn)
231 South 34th Street, Room 544
19104-6323 Philadelphia

Professorin Dr. Teresa Lyn Head-Gordon
Fachgebiet: Theoretische Chemie: Moleküle, Materialien, Oberflächen In Deutschland: 19.12.2024 - 19.12.2024 Projektbeschreibung des Gastgebers Professor Head-Gordon is internationally recognized for her fundamental contributions to theoretical chemistry. The hallmark of her research is to unite quantum mechanics with advances in statistical mechanics and machine learning. During her stay in Germany, she will connect with experimentalists studying protein condensation from liquid phase separation to (neurotoxic) fibril formation and developing catalysts for green chemistry.	Heimatinstitut Department of Chemistry University of California, Berkeley Latimer Hall 419 94720 Berkeley

Professorin Dr. Teresa Lyn Head-Gordon

Fachgebiet:

Theoretische Chemie: Moleküle, Materialien, Oberflächen

In Deutschland:

19.12.2024 - 19.12.2024

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of California, Berkeley
Latimer Hall 419
94720 Berkeley

Professor Dr. Eric J. Heller
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.09.2002 - 31.01.2003	Heimatinstitut Department of Physics Harvard University 17 Oxford Street 02138 Cambridge

Professor Dr. Eric J. Heller

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2002 - 31.01.2003

Heimatinstitut

Department of Physics
Harvard University
17 Oxford Street
02138 Cambridge

Professor Dr. Jeremy Mark Hutson
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2010 - 31.08.2010 Projektbeschreibung des Gastgebers Prof. Jeremy M. Hutson, Professor of Chemistry and Physics, Durham University, Durham, United Kingdom: Professor Jeremy M. Hutson is one of the world-leading experts on intermolecular forces in general and on the theory of collisions of ultracold molecules in particular. He has developed methods to determine globally accurate potential energy surfaces from experimental results and he has made seminal contributions to the theory of Van der Waals complexes and clusters. In Germany, he will collaborate with experimental and theoretical groups on cold collision studies and on schemes to control molecular interactions.	Heimatinstitut Department of Chemistry University of Durham Sciences Lab., South Road DH1 3LE Durham

Professor Dr. Jeremy Mark Hutson

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2010 - 31.08.2010

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of Durham
Sciences Lab., South Road
DH1 3LE Durham

Dr. Julius Jellinek
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.04.2021 - 30.06.2021 Projektbeschreibung des Gastgebers Dr. Jellinek is well known internationally for his outstanding contributions to the understanding of the electronic structure and structural dynamics of free metal and alloy clusters. His theoretical contributions towards a conceptual physical understanding of cluster dynamics will impact experimental approaches to study those systems. In Germany, Dr. Jellinek will closely interact with experimentalists working both, on free and supported metal clusters to jointly tackle problems in understanding cluster phenomena.	Heimatinstitut Chemical Sciences and Engineering Division Argonne National Laboratory 9700 C. Cass Ave., Bldg. 200 60439 Argonne

Dr. Julius Jellinek

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2021 - 30.06.2021

Projektbeschreibung des Gastgebers

Heimatinstitut

Chemical Sciences and Engineering Division
Argonne National Laboratory
9700 C. Cass Ave., Bldg. 200
60439 Argonne

Professor Dr. Joseph Klafter
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.2004 - 31.07.2004	Heimatinstitut Tel Aviv University 69978 Tel Aviv

Professor Dr. Joseph Klafter

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.2004 - 31.07.2004

Heimatinstitut

Tel Aviv University
69978 Tel Aviv

Professor Dr. Samuel Krimm
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.1983 - 31.08.1983	Heimatinstitut Biophysics Research Division University of Michigan 930 North University 48109-1055 Ann Arbor

Professor Dr. Samuel Krimm

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.1983 - 31.08.1983

Heimatinstitut

Biophysics Research Division
University of Michigan
930 North University
48109-1055 Ann Arbor

Professorin Dr. Anna I. Krylov
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.2018 - 31.07.2018 Projektbeschreibung des Gastgebers Professor Krylov is an international authority in the fields of photochemistry and photobiology. She has devised theoretical methods for molecules with unusual electronic structures that led to important advances. Most notably, she contributed substantially to the understanding of diradicals and their reactivity. During her stay in Germany, she plans to spend time at the universities of Heidelberg and Mainz, where she intends to extend her research towards decaying electronic states which play important roles in many light-activated chemical and biological processes.	Heimatinstitut Department of Chemistry University of Southern California 920 Bloom Walk, SSC 409 90089-0482 Los Angeles, CA

Professorin Dr. Anna I. Krylov

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.2018 - 31.07.2018

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of Southern California
920 Bloom Walk, SSC 409
90089-0482 Los Angeles, CA

Professor Dr. Wenjian Liu
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2011 - 31.08.2011 Projektbeschreibung des Gastgebers Professor Liu is one of the leading theoretical chemists in the field of Relativistic Quantum Chemistry. His name has been associated with his program package "Bejing Density Functional" (BDF) for the calculation of atoms and molecules in terms of 4-component spinors. The research in Germany will be based on Professor Liu's recent work on a quasi-relativistic theory exactly equivalent to fully relativistic theory, and on the relativistic theory of nuclear magnetic shielding, which are part of what can be called relativistic quantum chemistry of a new generation.	Heimatinstitut College of Chemistry and Molecular Engineering Peking University (PKU) Yiheyuan Road 5 100871 Beijing

Professor Dr. Wenjian Liu

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2011 - 31.08.2011

Projektbeschreibung des Gastgebers

Heimatinstitut

College of Chemistry and Molecular Engineering
Peking University (PKU)
Yiheyuan Road 5
100871 Beijing

Professor Dr. Haibo Ma
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.01.2025 - 31.03.2025 Projektbeschreibung des Gastgebers Professor Ma is well known internationally for his outstanding research on the efficient description of the quantum wavefunctions of chemical compounds by tensor network states. He has made important contributions to make these representations fruitful for compounds dominated by strong correlation effects. Professor Ma combines this activity with an additional broad range of established methods for calculations in quantum chemistry. During his stay in Germany, he intends to investigate new tensor network geometries and time-evolution methods for the calculation of the dynamics of strongly correlated compounds.	Heimatinstitut Shandong University Shanda South Road 27# 250100 Jinan Gastinstitut in Deutschland Prof. Dr. Ulrich Schollwöck Fakultät für Physik Ludwig-Maximilians-Universität München (LMU) Schellingstraße 4 80799 München

Professor Dr. Haibo Ma

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.01.2025 - 31.03.2025

Projektbeschreibung des Gastgebers

Heimatinstitut

Shandong University
Shanda South Road 27#
250100 Jinan

Gastinstitut in Deutschland

Prof. Dr. Ulrich Schollwöck
Fakultät für Physik
Ludwig-Maximilians-Universität München (LMU)
Schellingstraße 4
80799 München

Dr. Susanta Mahapatra
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.12.2002 - 31.05.2003 Projektbeschreibung des Gastgebers Dr. Mahapatra has made important contributions to the theoretical understanding of nonadiabatic chemical reaction dynamics both in bimolecular collisions and in unimolecular reactions. The aim of the research project at the Technical University of Munich and the University of Heidelberg is a first-principles investigation of the photochemistry of the allyl radiacal that plays a central role in many organic reactions.	Heimatinstitut School of Chemistry University of Hyderabad Central University Campus P.O. 500046 Hyderabad

Dr. Susanta Mahapatra

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.12.2002 - 31.05.2003

Projektbeschreibung des Gastgebers

Heimatinstitut

School of Chemistry
University of Hyderabad
Central University Campus P.O.
500046 Hyderabad

Professor Dr. Horia Metiu
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.05.2013 - 31.05.2013 Projektbeschreibung des Gastgebers The work of Professor Metiu is higly interdisciplinary, ranging from the development of innovative theoretical physics and computational science concepts, to novel, applications in areas such as the surface physics, quantum dynamics, or "photochemistry", to research on catalysis relevant for industrial processes. His present focus is on nano-scale catalysis (e.g. by small metallic clusters on metal oxides) and on electro-chemical reactions such as in fuel cells.	Heimatinstitut Department of Chemistry and Biochemistry University of California, Santa Barbara 93106-9510 Santa Barbara

Professor Dr. Horia Metiu

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.05.2013 - 31.05.2013

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry and Biochemistry
University of California, Santa Barbara
93106-9510 Santa Barbara

Professor Dr. Angelos Michaelides
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2019 - 31.08.2019	Heimatinstitut Department of Chemistry University of Cambridge Lensfield Road CB2 1EW Cambridge

Professor Dr. Angelos Michaelides

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2019 - 31.08.2019

Heimatinstitut

Department of Chemistry
University of Cambridge
Lensfield Road
CB2 1EW Cambridge

Professor Dr. Alexander S. Mikhailov
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.07.1994 - 31.03.1995	Heimatinstitut Abteilung Physikalische Chemie Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6 14195 Berlin

Professor Dr. Alexander S. Mikhailov

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.1994 - 31.03.1995

Heimatinstitut

Abteilung Physikalische Chemie
Fritz-Haber-Institut der Max-Planck-Gesellschaft
Faradayweg 4-6
14195 Berlin

Professor Dr. William H. Miller
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 16.09.1994 - 15.12.1994	Heimatinstitut Department of Chemistry University of California, Berkeley 627 Latimer Hall 94720 Berkeley

Professor Dr. William H. Miller

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

16.09.1994 - 15.12.1994

Heimatinstitut

Department of Chemistry
University of California, Berkeley
627 Latimer Hall
94720 Berkeley

Professor Dr. Nimrod Moiseyev
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.08.2023 - 31.08.2023	Heimatinstitut Department of Chemistry Technion-Israel Institute of Technology Technion City 32000 Haifa

Professor Dr. Nimrod Moiseyev

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.08.2023 - 31.08.2023

Heimatinstitut

Department of Chemistry
Technion-Israel Institute of Technology
Technion City
32000 Haifa

Professor Dr. Debashis Mukherjee
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.04.2018 - 31.05.2018 Projektbeschreibung des Gastgebers Professor Mukherjee has played a unique and very successful role in the development of many body methods in quantum chemistry and physics during the last decades. He has made important contributions in multi-reference coupled cluster theories to handle quasi-degeneracy of electronic states which have attracted wide international recognition. During his stay in Germany he intends to investigate the beneficial use of cumulants of the reduced density matrices of a many electron state in multireference many body methods, and further develop successful Green Function methods for open-shell systems. Professor Mukherjee is hosted by ProfessorKutzelnigg at the University of Bochum and by Professor Cederbaum at the University of Heidelberg	Heimatinstitut Department of Physical Chemistry Indian Association for the Cultivation of Science Raja Subadh Mullick Rd., Jadavpur 700032 Calcutta

Professor Dr. Debashis Mukherjee

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2018 - 31.05.2018

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Physical Chemistry
Indian Association for the Cultivation of Science
Raja Subadh Mullick Rd., Jadavpur
700032 Calcutta

Professorin Dr. Prineha Narang
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 15.10.2021 - 15.10.2021 Projektbeschreibung des Gastgebers Professor Narang is well-known internationally for her research at the intersection of computational science, phenomena away from equilibrium, and optical control of dynamics in materials and molecules. She has made seminal contributions to materials physics, optically excited collective phenomena, and understanding transport in quantum matter. During her stay in Germany, she will work on developing tools to predict excited-state phenomena and material dynamics from first principles methods and the emergence of topological properties.	Heimatinstitut Department of Chemistry University of California, Los Angeles (UCLA) 90024 Los Angeles

Professorin Dr. Prineha Narang

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

15.10.2021 - 15.10.2021

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of California, Los Angeles (UCLA)
90024 Los Angeles

Professor Dr. Evgenji Nikitin
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.05.2008 - 31.07.2008	Heimatinstitut Department of Chemistry Technion-Israel Institute of Technology Technion City 32000 Haifa

Professor Dr. Evgenji Nikitin

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.05.2008 - 31.07.2008

Heimatinstitut

Department of Chemistry
Technion-Israel Institute of Technology
Technion City
32000 Haifa

Professor Dr. Abraham Nitzan
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.2010 - 30.04.2010	Heimatinstitut School of Chemistry Tel Aviv University 69978 Tel Aviv

Professor Dr. Abraham Nitzan

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.2010 - 30.04.2010

Heimatinstitut

School of Chemistry
Tel Aviv University
69978 Tel Aviv

Professor Dr. Elmar Grigorievich Petrov
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.02.2010 - 30.04.2010 Projektbeschreibung des Gastgebers Professor Petrov of the Bogolyubov Institute for Theoretical Physics obtains the Humboldt Award in recognition for his key contributions to the theory of excitons in magnetically ordered insulators. He was also among the first to describe electron transfer processes in proteins by using the concept of quantum tunnelling. Together with his hosts (V. May, HU-Berlin) and P. Hänggi (Augsburg) he is going to undertake research that relates to the manipulation of electronic transport thorugh nanostructures and molecules.	Heimatinstitut Bogolyubov Institute for Theoretical Physics National Academy of Sciences of Ukraine Metrolohichna Str. 14-b 03680 Kiev

Professor Dr. Elmar Grigorievich Petrov

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.02.2010 - 30.04.2010

Projektbeschreibung des Gastgebers

Heimatinstitut

Bogolyubov Institute for Theoretical Physics
National Academy of Sciences of Ukraine
Metrolohichna Str. 14-b
03680 Kiev

Professor Dr. Eliyahou Pollak
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.11.2013 - 30.11.2013	Heimatinstitut Department of Chemical Physics Weizmann Institute of Science Herzl Street 76100 Rehovot

Professor Dr. Eliyahou Pollak

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2013 - 30.11.2013

Heimatinstitut

Department of Chemical Physics
Weizmann Institute of Science
Herzl Street
76100 Rehovot

Professor Dr. Richard N. Porter
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.1978 - 31.08.1978	Heimatinstitut Department of Chemistry Stony Brook University 11794-3400 Stony Brook

Professor Dr. Richard N. Porter

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.1978 - 31.08.1978

Heimatinstitut

Department of Chemistry
Stony Brook University
11794-3400 Stony Brook

Professor Dr. Oleg Victor Prezhdo
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.06.2023 - 31.07.2023 Projektbeschreibung des Gastgebers Professor Prezhdo is an international authority in the computational study of photo-stimulated processes. He has made significant contributions to the theory and simulation of excited state and non-equilibrium phenomena in condensed phase chemical and physical systems. During his stay in Germany, he will continue his research, focussing on questions of application to real device structures for photovoltaic and photo-catalytic solar energy conversion.	Heimatinstitut Department of Chemistry University of Southern California 3620 McClintock Ave 90089-1062 Los Angeles

Professor Dr. Oleg Victor Prezhdo

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.06.2023 - 31.07.2023

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of Southern California
3620 McClintock Ave
90089-1062 Los Angeles

Professor Dr. Peter Pulay
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.1996 - 31.12.1996	Heimatinstitut Fulbright College of Arts and Science, Department of Chemistry and Biochemistry University of Arkansas 72701 Fayetteville

Professor Dr. Peter Pulay

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.1996 - 31.12.1996

Heimatinstitut

Fulbright College of Arts and Science, Department of Chemistry and Biochemistry
University of Arkansas
72701 Fayetteville

Professor Dr. Pekka Pyykkö
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.11.2019 - 31.12.2019 Projektbeschreibung des Gastgebers Professor Pekka Pyykkö has contributed to understanding the role of relativistic effects in the chemistry of the heavier elements. The specific properties of elements, like gold, lead, platinum or mercury are strongly influenced. The results are now included in most textbooks of inorganic chemistry. The total literature in the area comprises over 11 000 papers, summarized in the bibliographies of Pyykkö. In particular, Pyykkö an collaborators explained the nature of the so called "aurophilic attraction", observed by Herrn Schmidbaur (Technische Universität München)	Heimatinstitut Department of Chemistry University of Helsinki A.I. Virtasen aukio 1 00014 Helsinki

Professor Dr. Pekka Pyykkö

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2019 - 31.12.2019

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
University of Helsinki
A.I. Virtasen aukio 1
00014 Helsinki

Professor Dr. Eran Rabani
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.05.2025 - 30.06.2025	Heimatinstitut Department of Chemistry University of California, Berkeley 220 Gilman Hall 94720 Berkeley Gastinstitut in Deutschland Prof. Dr. Michael Thoss Physikalisches Institut Albert-Ludwigs-Universität Freiburg Hermann-Herder-Straße 3a 79104 Freiburg

Professor Dr. Eran Rabani

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.05.2025 - 30.06.2025

Heimatinstitut

Department of Chemistry
University of California, Berkeley
220 Gilman Hall
94720 Berkeley

Gastinstitut in Deutschland

Prof. Dr. Michael Thoss
Physikalisches Institut
Albert-Ludwigs-Universität Freiburg
Hermann-Herder-Straße 3a
79104 Freiburg

Professor Dr. Herschel A. Rabitz
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.03.2015 - 31.05.2015	Heimatinstitut Department of Chemistry Princeton University 129 Frick Chemical Laboratory 08544-1009 Princeton

Professor Dr. Herschel A. Rabitz

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.2015 - 31.05.2015

Heimatinstitut

Department of Chemistry
Princeton University
129 Frick Chemical Laboratory
08544-1009 Princeton

Professor Dr. Andrew Marshall Rappe
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 18.03.2024 - 18.03.2024	Heimatinstitut Department of Chemistry University of Pennsylvania (UPenn) 231 South 34th Street 19104-6323 Philadelphia

Professor Dr. Andrew Marshall Rappe

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

18.03.2024 - 18.03.2024

Heimatinstitut

Department of Chemistry
University of Pennsylvania (UPenn)
231 South 34th Street
19104-6323 Philadelphia

Professor Dr. A. Ravi Prakash Rau
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.04.2013 - 30.04.2013	Heimatinstitut Department of Physics and Astronomy Louisiana State University 201 Nicholson Hall, Tower Drive 70803-4001 Baton Rouge

Professor Dr. A. Ravi Prakash Rau

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2013 - 30.04.2013

Heimatinstitut

Department of Physics and Astronomy
Louisiana State University
201 Nicholson Hall, Tower Drive
70803-4001 Baton Rouge

Professor Dr. Kev M. Salikhov
Fachgebiet: Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation In Deutschland: 01.04.2002 - 30.06.2002 Projektbeschreibung des Gastgebers Professor Kev Salikov receives the Humboldt Research Award in recognition of his landmark contributions to the field of spin dynamics in light-induced cemical reactions. His research plans for Berlin intend to provide urgent theoretical escort to recent significant experimental achievements in understanding both charge transfer and spin dynamics in plant photosynthesis and in other photoreactive systems. Spin dynamics of radical pair intermediates show "the proteins at work". Major impact for DFG supported research programms(Sfb 498, SPP 1051) can be expected.	Heimatinstitut Kazan Physical-Technical Institute Russian Academy of Sciences Sibirsky tract, 10/7 420029 Kazan, Tatarstan

Professor Dr. Kev M. Salikhov

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2002 - 30.06.2002

Projektbeschreibung des Gastgebers

Heimatinstitut

Kazan Physical-Technical Institute
Russian Academy of Sciences
Sibirsky tract, 10/7
420029 Kazan, Tatarstan

Professor Dr. Henry Frederick Schaefer III

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.06.2015 - 31.08.2015

Projektbeschreibung des Gastgebers

Heimatinstitut

Center for Computational Quantum Chemistry
University of Georgia
1004 Cedar Street
30602 Athens

Professor Dr. Peter A. Schwerdtfeger

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.12.2012 - 31.12.2012

Projektbeschreibung des Gastgebers

Heimatinstitut

Massey University
Private Bag 102-904
0632 Auckland

Professor Dr. Gustavo E. Scuseria

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2016 - 30.06.2016

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Rice University
77251-1892 Houston

Professorin Dr. Tamar Seideman

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.2006 - 31.08.2006

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Northwestern University
2145 North Sheridan Road
60208-3113 Evanston

Professor Dr. Sason Shaik

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2023 - 31.10.2023

Heimatinstitut

Department of Organic Chemistry and The Lise Meitner-Minerva Center for Computational Quamtum Chemistry
Hebrew University of Jerusalem
Alberman Bldg.
91904 Jerusalem

Professor Dr. James L. Skinner

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.1996 - 30.04.1996

Heimatinstitut

Department of Organic Chemistry
University of Wisconsin-Madison
1101 West University Avenue
53706 Madison

Professor Dr. Sean C. Smith

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.2007 - 29.02.2008

Projektbeschreibung des Gastgebers

Heimatinstitut

Australian National University
Building 143, Corner of Ward Road and Garran Road
2601 Canberra

Professor Dr. Michail Stamatakis

Fachgebiet:

Theorie und Modellierung von Materialien und Oberflächen

In Deutschland:

01.05.2024 - 31.07.2024

Heimatinstitut

Department of Chemistry, Inorganic Chemistry Laboratory
University of Oxford
South Parks Road
OX1 4BH Oxford

Professor Dr. William A. Steele

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.10.1993 - 30.11.1993

Heimatinstitut

Department of Chemistry
Pennsylvania State University (PennState)
434 Chemistry Building
16802 University Park

Professor Dr. Yoshitaka Tanimura

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.02.2014 - 31.03.2014

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry, Faculty of Science
Kyoto University
Kitashirakawa-Oiwakecho, Sakyo-ku
606-8502 Kyoto

Professor Dr. Sergei Tretiak

Fachgebiet:

Theoretische Chemie

In Deutschland:

01.10.2022 - 31.10.2022

Projektbeschreibung des Gastgebers

Heimatinstitut

Center for Integrated Nanotechnologies
Los Alamos National Laboratory
87545 Los Alamos

Professor Dr. Vladimir G. Tsirelson

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.07.2005 - 31.08.2005

Projektbeschreibung des Gastgebers

Heimatinstitut

Quantum Chemistry Department
D. Mendeleev University of Chemical Technology of Russia
Miusskaya Square 9
125047 Moscow

Professor Dr. Mark E. Tuckerman

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2008 - 30.04.2008

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
New York University
100 Washington Square East
10003-4556 New York

Professor Dr. John Tully

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2013 - 31.12.2013

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Yale University
225 Prospect Street
06520 New Haven

Professor Dr. Ad Van der Avoird

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2009 - 30.11.2009

Projektbeschreibung des Gastgebers

Heimatinstitut

Theoretical Chemistry
Radboud University
Toernooiveld 1
6525 ED Nijmegen

Professor Dr. David Wales

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

14.10.2021 - 15.10.2021

Heimatinstitut

Department of Chemistry
University of Cambridge
P.O. Box Lensfield Road
CB2 1EW Cambridge

Professor Dr. Bin Wang

Fachgebiet:

Theorie und Modellierung von Materialien und Oberflächen

In Deutschland:

01.05.2025 - 31.07.2025

Projektbeschreibung des Gastgebers

Heimatinstitut

School of Chemical, Biological and Materials Engineering
University of Oklahoma
100 E. Boyd Street
73019 Norman

Gastinstitut in Deutschland

Prof. Dr. Jörg Neugebauer
Abteilung Computergestütztes Materialdesign
Max-Planck-Institut für Nachhaltige Materialien
Max-Planck-Straße 1
40237 Düsseldorf

Professorin Dr. Katherine Birgitta Whaley

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.09.2004 - 30.11.2004

Heimatinstitut

Department of Chemistry
University of California, Berkeley
94720-1460 Berkeley

Professor Dr. Myung-Hwan Whangbo

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.05.1998 - 31.05.1998

Heimatinstitut

Department of Chemistry
North Carolina State University at Raleigh
27695-8204 Raleigh

Professor Dr. Jerry L. Whitten

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.03.2005 - 31.05.2005

Heimatinstitut

Department of Chemistry
North Carolina State University at Raleigh
Campus Box 8204
27695-8204 Raleigh

Dr. Sotiris Xantheas

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.11.2015 - 30.11.2015

Projektbeschreibung des Gastgebers

Heimatinstitut

Chemical Physics & Analysis
Pacific Northwest National Laboratory
902 Battelle Boulevard, P.O. Box 999
99352 Richland

Professor Dr. Weitao Yang

Fachgebiet:

Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation

In Deutschland:

01.04.2016 - 31.05.2016

Projektbeschreibung des Gastgebers

Heimatinstitut

Department of Chemistry
Duke University
Paul Gross Chemical Laboratory
27708-0346 Durham