Andreas Goetz
Title
Cited by
Cited by
Year
AMBER 12
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
http://ambermd.org, 2012
8117*2012
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
6480*2008
Amber 14
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, 2014
4621*2014
Routine microsecond molecular dynamics simulations with AMBER on GPUs. 2. Explicit solvent particle mesh Ewald
R Salomon-Ferrer, AW Götz, D Poole, S Le Grand, RC Walker
Journal of chemical theory and computation 9 (9), 3878-3888, 2013
15802013
Amsterdam Density Functional Program, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, J Autschbach, A Bérces, FM Bickelhaupt, C Bo, ...
URL: http://www.scm.com, 0
1261*
Routine microsecond molecular dynamics simulations with AMBER on GPUs. 1. Generalized born
AW Gotz, MJ Williamson, D Xu, D Poole, S Le Grand, RC Walker
Journal of chemical theory and computation 8 (5), 1542-1555, 2012
11582012
SPFP: speed without compromise—a mixed precision model for GPU accelerated molecular dynamics simulations
SL Grand, AW Götzx, RC Walker
Computer Physics Communications, 2012
5972012
Electronic absorption spectra from MM and ab Initio QM/MM molecular dynamics: environmental effects on the absorption spectrum of photoactive yellow protein
CM Isborn, AW Götz, MA Clark, RC Walker, TJ Martínez
Journal of Chemical Theory and Computation 8 (12), 5092-5106, 2012
1602012
The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies
BC Knott, M Haddad Momeni, MF Crowley, LF Mackenzie, AW Götz, ...
Journal of the American Chemical Society 136 (1), 321-329, 2014
1392014
Numerically stable optimized effective potential method with balanced Gaussian basis sets
A Heßelmann, AW Götz, F Della Sala, A Görling
The Journal of chemical physics 127, 054102, 2007
1302007
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters …
SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ...
The Journal of chemical physics 145 (19), 194504, 2016
1282016
A high performance grid-based algorithm for computing QTAIM properties
JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo
Chemical Physics Letters 472 (1-3), 149-152, 2009
1122009
An extensible interface for QM/MM molecular dynamics simulations with AMBER
AW Götz, MA Clark, RC Walker
Journal of computational chemistry 35 (2), 95-108, 2014
1022014
Performance of kinetic energy functionals for interaction energies in a subsystem formulation of density functional theory
AW Gotz, SM Beyhan, L Visscher
Journal of chemical theory and computation 5 (12), 3161-3174, 2009
982009
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions
TT Nguyen, E Székely, G Imbalzano, J Behler, G Csányi, M Ceriotti, ...
The Journal of chemical physics 148 (24), 241725, 2018
892018
On the representation of many-body interactions in water
GR Medders, AW Götz, MA Morales, P Bajaj, F Paesani
The Journal of chemical physics 143 (10), 104102, 2015
812015
AMBER 2015; University of California: San Francisco, CA, 2015
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
There is no corresponding record for this reference.[Google Scholar], 2015
812015
PyADF—A scripting framework for multiscale quantum chemistry
CR Jacob, SM Beyhan, RE Bulo, ASP Gomes, AW Götz, K Kiewisch, ...
Journal of computational chemistry 32 (10), 2328-2338, 2011
612011
Toward chemical accuracy in the description of ion–water interactions through many-body representations. I. Halide–water dimer potential energy surfaces
P Bajaj, AW Gotz, F Paesani
Journal of chemical theory and computation 12 (6), 2698-2705, 2016
572016
Application of adaptive QM/MM methods to molecular dynamics simulations of aqueous systems
K Park, AW Götz, RC Walker, F Paesani
Journal of chemical theory and computation 8 (8), 2868-2877, 2012
552012
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Articles 1–20