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职业迁徙
个人简介
My main research theme is the development and application of quantum chemical methods used in a multiscale-modeling approach of molecular systems. Aspects of this work are the definition of subsystem approaches, the connection between wave function and density functional theory, and the exploration of quantum computers. In the electronic structure methods particular attention is paid to the simultaneous treatment of electron correlation and relativity. Aim is a precise treatment of large molecular systems with an economical and comprehensible interpretation of the influence of the environment on local molecular properties. Applications are found in various areas of chemistry and physics, recent work concerns e.g. photochemistry of biomolecules, actinide chemistry, benchmark calculations of molecular properties.
研究兴趣
论文共 260 篇作者统计合作学者相似作者
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JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 2 (2024): 677-694
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 20 (2024): 8862-8875
Volker Blum, Ryoji Asahi,Jochen Autschbach, Christoph Bannwarth,Gustav Bihlmayer,Stefan Blügel,Lori A. Burns,T. Daniel Crawford,William Dawson,Wibe Albert de Jong,Claudia Draxl, Claudia Filippi,Luigi Genovese,Paolo Giannozzi,Niranjan Govind,Sharon Hammes-Schiffer,Jeff R. Hammond, Benjamin Hourahine, Anubhav Jain,Yosuke Kanai, Paul R C Kent,Ask Hjorth Larsen,Susi Lehtola,Xiaosong Li,Roland Lindh, Satoshi Maeda,Nancy Makri,Jonathan Moussa,Takahito Nakajima,Jessica A. Nash,Micael J. T. Oliveira, Pansy D. Patel,Giovanni Pizzi,Geoffrey Pourtois,Benjamin P. Pritchard,Eran Rabani,Markus Reiher,Lucia Reining,Xinguo Ren,Mariana Rossi,H. Bernhard Schlegel,Nicola Seriani, Lyudmila V. Slipchenko,Alexander Thom,Edward F. Valeev,Benoit Van Troeye,Lucas Visscher,Vojtech Vlcek,Hans-Joachim Werner,David B. Williams-Young,Theresa Windus
Electronic Structure (2024)
crossref(2024)
The journal of physical chemistry A/The journal of physical chemistry Ano. 44 (2023): 9244-9257
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#Papers: 260
#Citation: 11034
H-Index: 60
G-Index: 96
Sociability: 6
Diversity: 3
Activity: 58
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