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M

Mark A. Watson

schrodinger, inc.

32H指数
62论文数
9.1K被引数
收录论文 31
发表时间
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Prediction of Atropisomerism for Drug-like Molecules药物样分子的差向异构现象预测
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-01
err0
PREAI
errBalduf, Ty; Gerken, Philip A.; Shelley, Mee Y.; Watson, Mark A.; Bennett, M. Chandler; Svensson, Mats; Leffler, Abba E.; Bochevarov, Art
err分享
err收藏
Quantum chemical package Jaguar: A survey of recent developments and unique features
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err3
PREAI
errCao, Yixiang; Balduf, Ty; Beachy, Michael D.; Bennett, M. Chandler; Bochevarov, Art D.; Chien, Alan; Dub, Pavel A.; Dyall, Kenneth G.; Furness, James W.; Halls, Mathew D.; Hughes, Thomas F.; Jacobson, Leif D.; Kwak, H. Shaun; Levine, Daniel S.; Mainz, Daniel T.; Moore III, Kevin B.; Svensson, Mats; Videla, Pablo E.; Watson, Mark A.; Friesner, Richard A.
err分享
err收藏
Comment on the Definition and Labeling of pK50
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-21
err0
PREAI
errWatson, Mark A.; Johnston, Ryne C.; Bochevarov, Art
err分享
err收藏
Pattern-free generation and quantum mechanical scoring of ring-chain tautomers
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-08-24
err4
PREAI
errLevine, Daniel S.; Watson, Mark A.; Jacobson, Leif D.; Dickerson, Claire E.; Yu, Haoyu S.; Bochevarov, Art D.
err分享
err收藏
Generation of Tautomers Using Micro-pKa's
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-05-09
err10
PREAI
errWatson, Mark A.; Yu, Haoyu S.; Bochevarov, Art D.
err分享
err收藏
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-02-05
err40
PREAI
errYu, Haoyu S.; Watson, Mark A.; Bochevarov, Art D.
err分享
err收藏
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-10-17
err137
PREAI
errJacobson, Leif D.; Bochevarov, Art D.; Watson, Mark A.; Hughes, Thomas F.; Rinaldo, David; Ehrlich, Stephan; Steinbrecher, Thomas B.; Vaitheeswaran, S.; Philipp, Dean M.; Halls, Mathew D.; Friesner, Richard A.
err分享
err收藏
Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups基于多构象，密度泛函理论的pKa预测在具有不同官能团的大型柔性有机分子中的应用
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-11-29
err127
PREAI
errBochevarov, Art D.; Watson, Mark A.; Greenwood, Jeremy R.
err分享
err收藏
N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p-Phenylenevinylene)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-03-04
err164
errOAAI
errGuo, Sheng; Watson, Mark A.; Hu, Weifeng; Sun, Aiming; Chan, Garnet Kin-Lic
err分享
err收藏
Construction of the Fock Matrix on a Grid-Based Molecular Orbital Basis Using GPGPUs
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-04-30
err11
PREAI
errLosilla, Sergio A.; Watson, Mark A.; Aspuru-Guzik, Alan; Sundholm, Dage
err分享
err收藏
Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-03-02
err25
errOAAI
errHongo, Kenta; Watson, Mark A.; Iitaka, Toshiaki; Aspuru-Guzik, Alan; Maezono, Ryo
err分享
err收藏
The Dalton quantum chemistry program system
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2013-09-23
err1.4K
errOAAI
errAidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjorn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pal; Dalskov, Erik K.; Ekstrom, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernandez, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenaes, Eirik; Host, Stinne; Hoyvik, Ida-Marie; Iozzi, Maria Francesca; Jansik, Branislav; Jensen, Hans Jorgen Aa.; Jonsson, Dan; Jorgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjrgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnaes, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf H.; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas B.; Provasi, Patricio F.; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; de Meras, Alfredo Sanchez; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H.; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik I.; Tew, David P.; Thorvaldsen, Andreas J.; Thogersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Agren, Hans
err分享
err收藏
Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-09-25
err96
errOAAI
errWatson, Mark A.; Chan, Garnet Kin-Lic
err分享
err收藏
Electronic structure calculations in arbitrary electrostatic environments
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-01-09
err17
errOAAI
errWatson, Mark A.; Rappoport, Dmitrij; Lee, Elizabeth M. Y.; Olivares-Amaya, Roberto; Aspuru-Guzik, Alan
err分享
err收藏
Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-12-14
err86
PREAI
errOlivares-Amaya, Roberto; Watson, Mark A.; Edgar, Richard G.; Vogt, Leslie; Shao, Yihan; Aspuru-Guzik, Alan
err分享
err收藏
An improved long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP) (vol 127, 154109, 2007)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-08-06
err12
errOAAI
errSong, Jong-Won; Tokura, Seiken; Sato, Takeshi; Watson, Mark A.; Hirao, Kimihiko
err分享
err收藏
Reciprocal Regulation of Myocardial microRNAs and Messenger RNA in Human Cardiomyopathy and Reversal of the microRNA Signature by Biomechanical Support
errCIRCULATION
IF38.6
err2009-03-10
err283
errOAAI
errMatkovich, Scot J.; Van Booven, Derek J.; Youker, Keith A.; Torre-Amione, Guillermo; Diwan, Abhinav; Eschenbacher, William H.; Dorn, Lisa E.; Watson, Mark A.; Margulies, Kenneth B.; Dorn, Gerald W., II
err分享
err收藏
Core-excitation energy calculations with a long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-11-13
err84
PREAI
errSong, Jong-Won; Watson, Mark A.; Nakata, Ayako; Hirao, Kimihiko
err分享
err收藏
A linear-scaling spectral-element method for computing electrostatic potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-11-11
err14
PREAI
errWatson, Mark A.; Hirao, Kimihiko
err分享
err收藏
Nonlinear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-07-14
err62
PREAI
errSong, Jong-Won; Watson, Mark A.; Sekino, Hideo; Hirao, Kimihiko
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 935
R
Richard A. Friesner
H 指数: 107 · 论文数: 486
H
Hans Ågren
H 指数: 102 · 论文数: 1.6K
N
Nicholas C. Handy
H 指数: 93 · 论文数: 482
G
Gerald W. Dorn
H 指数: 88 · 论文数: 377
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