Publication & Citation Trends
Most Cited Works
Publications
28 total
<i>Ab initio</i>derived augmented Tersoff potential for silicon oxynitride compounds and their interfaces with silicon
Cited by 67
OpenAlex
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
Cited by 1,048
OpenAlex
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis
Cited by 220
OpenAlex
Nuclear Quantum Effects and Enzyme Dynamics in Dihydrofolate Reductase Catalysis
Cited by 186
OpenAlex
Hydride Transfer in Liver Alcohol Dehydrogenase: Quantum Dynamics, Kinetic Isotope Effects, and Role of Enzyme Motion
Cited by 205
OpenAlex
Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes
Cited by 124
OpenAlex
Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins
Cited by 44
OpenAlex
Research Topics
Spectroscopy and Quantum Chemical Studies
(16)
Advanced Chemical Physics Studies
(11)
Advanced NMR Techniques and Applications
(7)
Semiconductor materials and devices
(5)
Photochemistry and Electron Transfer Studies
(4)
Frequent Co-Authors
Affiliations
Pennsylvania State University
IBM (United States)
University of Zurich
ETH Zurich
Max-Planck-Institut für Kohlenforschung