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#
Author
Articles
Citations
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1
Shane R Yost
1
518
1
1
1
Christopher Cramer
1
518
5
2
1
Nicole Bellonzi
1
518
1
1
1
Daniel S Lambrecht
1
518
3
3
1
Yuezhi Mao
1
518
2
2
1
Abel Carreras
1
518
1
1
1
John A Parkhill
1
518
1
1
1
Pavel Pokhilko
1
518
4
3
1
Tomasz A Wesolowski
1
518
2
2
1
Thomas-C Jagau
1
518
1
1
1
Susi Lehtola
1
518
2
1
1
Katherine J Oosterbaan
1
518
1
1
1
Anna I Krylov
1
518
4
3
1
Andreas W Hauser
1
518
1
1
1
Shaama Mallikarjun Sharada
1
518
3
2
1
James R Gayvert
1
518
1
1
1
Jeffrey B Neaton
1
518
6
3
1
Mario Hernández Vera
1
518
1
1
1
Roberto Peverati
1
518
3
2
1
Sebastian Ehlert
1
518
3
2
1
Thomas Markovich
1
518
1
1
1
Sahil Gulania
1
518
2
2
1
Yu Zhang
1
518
2
2
1
Eric J Berquist
1
518
2
2
1
Kevin Carter-Fenk
1
518
2
2
1
Jaehoon Kim
1
518
1
1
1
Daniel S Levine
1
518
2
2
1
YIhan Shao
1
518
12
2
1
Dirk R Rehn
1
518
2
1
1
Marc P Coons
1
518
1
1
1
Prashant Uday Manohar
1
518
1
1
1
Jonathan Thirman
1
518
1
1
1
Qingguo Feng
1
518
2
1
1
Wojciech Skomorowski
1
518
2
2
1
Kevin J Koh
1
518
2
2
1
Lyudmila V Slipchenko
1
518
3
3
1
Josefine H Andersen
1
518
1
1
1
Kerwin Hui
1
518
1
1
1
Atsushi Yamada
1
518
3
3
1
Alexandre Tkatchenko
1
518
4
3
1
Nicholas J Mayhall
1
518
3
2
1
Yi-Pei Li
1
518
3
1
1
Hugh G A Burton
1
518
3
2
1
Narbe Mardirossian
1
518
1
1
1
John M Herbert
1
518
2
2
1
Ádám Jász
1
518
1
1
1
Xing Zhang
1
518
2
2
1
Arik Landau
1
518
1
1
1
Hanjie Jiang
1
518
2
2
1
Matthew B Goldey
1
518
1
1
1
Dennis Barton
1
518
1
1
1
Alex J W Thom
1
518
1
1
1
Alan E Rask
1
518
2
2
1
Kuan-Yu Liu
1
518
1
1
1
Gábor János Tornai
1
518
1
1
1
Alan D Chien
1
518
1
1
1
Ryan P Steele
1
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1
1
1
David W Small
1
518
1
1
1
Run R Li
1
518
2
2
1
Evgeny Epifanovsky
1
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1
1
1
Kaushik D Nanda
1
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2
2
1
Alexander A Kunitsa
1
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1
1
1
Matthias Loipersberger
1
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4
3
1
Fabijan Pavošević
1
518
1
1
1
Sharon Hammes-Schiffer
1
518
4
2
1
Ka Un Lao
1
518
3
3
1
Jeng-Da Chai
1
518
3
2
1
Triet S Nguyen
1
518
1
1
1
Christian Ochsenfeld
1
518
2
2
1
Martin Head-Gordon
1
518
4
3
1
Alexander Zech
1
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2
2
1
Sonia Coriani
1
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7
5
1
Romit Chakraborty
1
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2
2
1
Jan-Michael Mewes
1
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1
1
1
Thomas R Furlani
1
518
1
1
1
Jörg Kussmann
1
518
1
1
1
Elliot C Rossomme
1
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2
2
1
Ksenia B Bravaya
2
526
1
1
1
Bang Cong Huynh
1
518
1
1
1
Andreas Klamt
1
518
1
1
1
Michael Diedenhofen
1
518
1
1
1
Alexis T Bell
1
518
4
3
1
Andreas Dreuw
1
518
3
2
1
WanZhen Liang
1
518
3
2
1
Daniel Lefrancois
1
518
1
1
1
Srimukh Prasad Veccham
1
518
2
2
1
Maxim V Ivanov
1
518
3
3
1
Takashi Tsuchimochi
1
518
1
1
1
Shirin Faraji
1
518
1
1
1
Adam Rettig
1
518
2
2
1
Stefanie A Mewes
1
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1
1
1
Eloy Ramos-Cordoba
1
518
2
1
1
Magnus W D Hanson-Heine
1
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2
2
1
Zsuzsanna Benda
1
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1
1
1
Jan Wenzel
1
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1
1
1
Jiashu Liang
1
518
2
2
1
Barry D Dunietz
1
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3
3
1
Jonathon Witte
1
518
1
1
1
K Birgitta Whaley
1
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3
3
1
Chao-Ping Hsu
1
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3
3
1
Vitaly A Rassolov
1
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2
2
1
Paul M Zimmerman
1
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3
2
1
Pierpaolo Morgante
1
518
1
1
1
Alexander C Paul
1
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2
1
1
Donald G Truhlar
1
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5
2
1
Cristina Elizabeth González-Espinoza
1
518
1
1
1
Saswata Dasgupta
1
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2
1
1
Alán Aspuru Guzik
1
518
9
5
1
Anastasia O Gunina
1
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1
1
1
Igor Ying Zhang
1
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3
2
1
Bhaskar Rana
1
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2
2
1
Marcus D Liebenthal
1
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2
2
1
David Casanova
1
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4
2
1
Sven Kähler
1
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1
1
1
Qinghui Ge
1
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1
1
1
Marc de Wergifosse
1
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1
1
1
Norman M Tubman
1
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1
1
1
Joonho Lee
1
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3
2
1
Alec F White
1
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1
1
1
Shervin Fatehi
1
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1
1
1
Eric Jon Sundstrom
1
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1
1
1
Teresa Head-Gordon
1
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2
2
1
William Goddard
1
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9
4
1
Aleksandr V Marenich
1
518
1
1
1
Michael F Herbst
1
518
2
2
1
Zhen Tao
1
518
1
1
1
Maximilian Scheurer
1
518
2
2
1
Marta L Vidal
1
518
3
3
1
Felix Plasser
1
518
2
1
1
C William Mccurdy
1
518
2
2
1
Nicholas A Besley
1
518
2
2
1
Peter M W Gill
1
518
1
1
1
A Eugene Deprince, Iii
1
518
2
2
1
Keith Lawler
1
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6
2
1
Adrian L Dempwolff
1
518
1
1
1
Maximilian F S J Menger
1
518
1
1
1
Diptarka Hait
1
518
2
2
1
Tim Kowalczyk
1
518
2
1
1
István Ladjánszki
1
518
1
1
1
Kun Yao
1
518
1
1
1
Christopher J Stein
1
518
2
2
1
Joseph E Subotnik
1
518
2
2
1
Aaditya Manjanath
1
518
2
2
1
Ying Zhu
1
518
1
1
1
Yousung Jung
1
518
3
2
1
Robert A Distasio Jr
1
518
2
2
1
Henry Lee Woodcock
1
518
2
2
1
Tarek Scheele
1
518
1
1
1
Peter F Mclaughlin
1
518
1
1
1
Manuel Hodecker
1
518
1
1
1
Ryan M Richard
1
518
2
2
1
D Vale Cofer-Shabica
1
518
1
1
1
Troy Van Voorhis
1
518
2
2
1
Tim Stauch
1
518
2
2
1
Jie Liu
1
518
2
2
1
J Wayne Mullinax
1
518
1
1
1
Garrette Paran
1
518
1
1
1
Vishikh Athavale
1
518
2
2
1
Kristina D Closser
1
518
1
1
1
Xintian Feng
1
518
2
2
1
William A Goddard
1
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5
2
1
Zhi-Qiang You
1
518
1
1
1
Yu-Chuan Su
1
518
1
1
1
Caroline M Krauter
1
518
1
1
1
Oleg Vydrov
1
518
1
1
1
Gergely Gidofalvi
1
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1
1
1
Leif D Jacobson
1
518
1
1
1
Stefan Prager
1
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1
1
1
Adrian W Lange
1
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1
1
1
Dmitry Zuev
1
518
1
1
175
Phuong H Nguyen
1
406
1
1
175
Guanghong Wei
1
406
3
2
175
Rakez Kayed
1
406
3
1
175
Mai Suan Li
1
406
3
1
175
Antoine Loquet
1
406
1
1
175
Peter Faller
1
406
1
1
175
Alfonso De Simone
1
406
3
2
175
Philippe Derreumaux
1
406
2
1
175
Sylvain E Lesné
1
406
1
1
175
Yifat Miller
1
406
2
1
175
John E Straub
8
497
1
1
175
Bikash Sahoo
1
406
1
1
175
James J Mccarty
1
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1
1
175
Stepan Timr
1
406
1
1
175
Pritam Ganguly
1
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1
1
175
Buyong
1
406
2
1
175
Carol K Hall
1
406
3
1
175
Ruth Nussinov
1
406
6
1
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Nikolay V Dokholyan
1
406
5
2
175
Birgit Strodel
1
406
2
1
175
Simone Melchionna
1
406
1
1
175
Joan-Emma Shea
1
406
3
3
175
Van V Vu
1
406
4
1
175
Jiaxing Chen
1
406
2
1
175
Brianna Hnath
1
406
1
1
175
Andrew J Doig
1
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2
2
175
Fabio Sterpone
1
406
1
1
175
Son Tung Ngo
1
406
5
1
175
Phuong H Nguyen
1
406
2
1
175
Jie Zheng
1
406
3
1
175
Mara Chiricotto
1
406
1
1
175
Ayyalusamy Ramamoorthy
1
406
4
3
175
Yiming Wang
1
406
2
1
175
Birgit Habenstein
1
406
1
1
210
Otello M Roscioni
1
189
1
1
210
David N Stelter
1
189
1
1
210
Shyam M Saladi
1
189
2
1
210
Remus T Dame
1
189
1
1
210
Ludovic Autin
1
189
1
1
210
Matteo Ricci
1
189
1
1
210
David Goodsell
1
189
1
1
210
Jason Lambert
1
189
1
1
210
Grant Jensen
1
189
5
2
210
Andrew I Jewett
1
189
1
1
221
Hongze Gao
1
143
1
1
221
Tianshu Li
2
202
1
1
221
Jianmin Li
1
143
3
3
221
Tomas Palacios
1
143
3
2
221
Qinghong Zhang
1
143
3
3
221
Hongzhi Wang
1
143
3
3
221
Jun Cao
2
202
1
1
221
Wang Lichao
1
143
3
2
221
Xiaoyuan
1
143
1
1
221
Yuxuan Lin
1
143
6
2
221
Yaogang Li
1
143
3
3
221
Xi Ling
7
228
1
1
221
Chengyi Hou
1
143
3
3
234
Yoshio Nishimoto
1
82
1
1
234
Catherine Jones Murphy
1
82
3
3
234
Xiaoxiao Yao
1
82
1
1
234
Jiahua Deng
3
93
1
1
234
Thomas A Niehaus
1
82
1
1
234
Benjamin P Frank
1
82
3
3
234
Bo Zhi
1
82
1
1
234
Christy L Haynes
1
82
3
4
234
Galya Orr Orr
1
82
1
1
234
Robert J Hamers
2
88
2
2
234
D Howard Fairbrother
1
82
3
3
245
Qiang Cui
8
122
1
1
246
Dmitry Smirnov
1
59
4
3
246
Hikari Kitadai
3
72
1
1
246
Zhengguang Lu
1
59
2
2
246
Xingzhi Wang
2
66
1
1
246
Chun Hung Lui
1
59
4
5
246
Qishuo Tan
1
59
1
1
246
Arielle Cohen
1
59
1
1
246
Sahar Sharifzadeh
3
72
2
1
254
Chen Yang
3
68
1
1
254
Ji-Xin Cheng
7
111
3
9
254
Jianguo Mei
1
32
4
5
254
Linli Shi
2
59
1
1
254
Yifan Zhu
2
45
1
1
254
Xiaoting Jia
1
32
3
3
254
Shan Jiang
1
32
3
3
254
Lu Lan
2
59
1
1
262
Janez IlaŠ
1
28
2
2
262
János Gerencsér
1
28
1
1
262
Ferenc Jakab
1
28
1
1
262
Jessica Ebner
1
28
1
1
262
Alice Douangamath
1
28
2
9
262
Ivan Ahel
1
28
7
20
262
Frank von Delft
1
28
3
10
262
Gyorgy M Keseru
1
28
4
2
262
Sandor Vajda
2
30
3
14
262
Daren Fearon
1
28
2
9
262
Henrietta Papp
1
28
1
1
262
Dávid Bajusz
1
28
3
3
262
Florian Grebien
1
28
5
5
262
Marion Schuller
1
28
2
9
276
Fernando R Fernandez
1
27
2
2
276
Heng-Ye Man
1
27
4
10
276
John A White
1
27
3
3
279
Mei Hong
1
25
2
5
279
George A Pantelopulos
2
36
1
1
279
Asanga Bandara
1
25
1
1
282
Maria Kamenetska
1
23
1
1
282
Linda H Doerrer
4
34
1
1
282
Arnold L Rheingold
3
27
4
2
282
Ayan Majumder
2
33
1
1
286
Nathchar Naowarojna
2
34
1
2
286
Pinghua Liu
2
34
1
1
286
Juan P Lopez
2
34
1
1
286
Ronghai Cheng
2
34
1
1
290
Lauren E Brown
3
36
1
1
290
Adrian Whitty
1
21
1
1
290
Surya Vamsi Pulukuri
1
21
1
1
290
Guangyuan Zhao
1
21
2
5
290
Binyomin Abrams
1
21
1
1
290
Hyeon Jeong Lee
1
21
3
3
290
Kai-Chih Huang
1
21
1
1
290
Lauren A Viarengo-Baker
1
21
1
1
290
Cheng Zong
5
52
3
8
290
Daniela E Matei
1
21
3
5
290
Pu-Ting Dong
2
30
2
2
290
Yuying Tan
2
34
4
7
302
Lawrence D Ziegler
2
29
1
1
302
Miranda Shaine
1
20
1
1
302
Amy Brodeur
1
20
1
1
302
L D Ziegler
1
20
1
1
306
Mauro L Mugnai
1
19
1
1
306
Abhinaw Kumar
1
19
1
1
306
Xingda An
2
29
1
1
306
Dave Thirumalai
1
19
1
2
306
Björn M Reinhard
1
19
1
1
306
Shyamsunder Erramilli
1
19
2
2
306
Debayan Chakraborty
1
19
1
1
313
Katherine H O'toole
2
28
1
1
313
Luke Whitesell
1
17
2
9
313
Karen N Allen
5
44
1
1
313
Jo Ishizawa
1
17
1
1
313
Michael Andreeff
1
17
1
5
313
John A Porco Jr
3
32
1
1
313
Barbara Imperiali
2
28
2
2
313
Dhruv Chachad
1
17
1
1
313
Ran Zhao
1
17
1
1
313
Shreya Patel
1
17
1
1
323
Igor Kramnik
1
14
2
7
323
Sujoy Chatterjee
1
14
1
1
323
Nandini Vallavoju
1
14
1
1
323
Aaron B Beeler
2
28
1
1
323
Sayantan Mondal
1
14
1
1
323
Alexander R Ivanov
1
14
2
2
323
Shivraj M Yabaji
1
14
1
1
323
Biman Bagchi
1
14
1
1
323
Boris N Kholodenko
1
14
3
3
323
Oleksii S Rukhlenko
1
14
3
3
323
Saumyak Mukherjee
1
14
1
1
323
Lester Kobzik
1
14
1
6
323
Subhajit Acharya
1
14
1
1
336
David Coker
3
23
1
1
336
Peng Lin
1
13
3
4
336
Stephen A Whelan
2
25
1
1
336
Yuewei Zhan
1
13
3
4
336
Justin Provazza
3
23
1
1
336
Francesco Segatta
1
13
3
4
336
Hongli Ni
1
13
3
4
344
Jiangyun Wang
1
12
5
10
344
Mark Grinstaff
5
36
2
7
344
Rui Lai
1
12
1
1
347
Rong Liu
1
11
12
16
347
Nicholas H Oberlies
2
21
2
7
347
Wei Yang
1
11
1
3
347
Yang Gao
1
11
1
1
347
Joanna E Burdette
2
21
5
5
347
Heng Zhang
2
14
1
1
347
Yolonda L Colson
1
11
2
5
347
Hannah M Bernstein
1
11
1
1
347
Mark Gregory
1
11
1
1
356
Amanda Christine Maldonado
1
10
2
2
356
Huzefa A Raja
1
10
3
6
356
Laura Flores-Bocanegra
1
10
2
2
356
John Snyder
1
10
1
1
356
Jeffrey W Bacon
1
10
1
1
356
Bin Li
1
10
1
1
356
Sean J Elliott
3
23
1
1
356
James Halley McNeely
3
20
1
1
356
Jialing Yang
1
10
1
1
356
John K Snyder
1
10
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