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#
Author
Articles
Citations
R ARank
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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
518
1
1
1
David W Small
1
518
1
1
1
Run R Li
2
531
1
1
1
Evgeny Epifanovsky
1
518
1
1
1
Kaushik D Nanda
1
518
2
2
1
Alexander A Kunitsa
1
518
1
1
1
Matthias Loipersberger
1
518
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
518
2
2
1
Sonia Coriani
1
518
7
5
1
Romit Chakraborty
1
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2
2
1
Jan-Michael Mewes
1
518
1
1
1
Thomas R Furlani
1
518
1
1
1
Jörg Kussmann
1
518
1
1
1
Elliot C Rossomme
1
518
2
2
1
Ksenia B Bravaya
1
518
2
2
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
518
1
1
1
Eloy Ramos-Cordoba
1
518
2
1
1
Magnus W D Hanson-Heine
1
518
2
2
1
Zsuzsanna Benda
1
518
1
1
1
Jan Wenzel
1
518
1
1
1
Jiashu Liang
1
518
2
2
1
Barry D Dunietz
1
518
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
518
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
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1
1
1
Saswata Dasgupta
1
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2
1
1
Alán Aspuru Guzik
1
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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
2
531
1
1
1
David Casanova
1
518
4
2
1
Sven Kähler
1
518
1
1
1
Qinghui Ge
1
518
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
518
1
1
1
Shervin Fatehi
1
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1
1
1
Eric Jon Sundstrom
1
518
1
1
1
Teresa Head-Gordon
1
518
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
5
596
1
1
1
Keith Lawler
1
518
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
518
1
1
1
Leif D Jacobson
1
518
1
1
1
Stefan Prager
1
518
1
1
1
Adrian W Lange
1
518
1
1
1
Dmitry Zuev
1
518
1
1
175
Pengbo Wang
4
360
1
1
175
Mingxue Tang
5
398
1
1
175
Yan-Yan Hu
5
398
1
1
175
Jin Zheng
2
302
1
1
199
Chenkun Zhou
2
137
1
1
199
Sujin Lee
4
177
1
1
199
Biwu
8
319
1
1
204
Qing-Xiang Amy Sang
4
163
1
1
204
Zahraa I Khamis
2
128
1
1
206
Michael G Medvedev
3
176
1
1
206
Alexander O Terent'ev
2
98
1
1
206
Igor V Alabugin
12
239
1
1
206
Ivan A Yaremenko
2
98
1
1
206
Nikolai V Krivoshchapov
3
176
1
1
206
Leah R Kuhn
3
164
1
1
215
Xuyong Feng
4
177
2
1
215
Po-Hsiu Chien
2
79
1
1
215
Sawankumar V Patel
4
160
1
1
215
Hao-Yu Liu
2
79
1
1
215
Haoyu Liu
2
79
1
1
223
Joseph B Schlenoff
9
149
1
1
223
Qingquan He
3
105
1
1
223
Kenneth G Hanson
5
110
1
1
223
Bumjoon J Kim
2
77
4
4
223
Michael Worku
6
188
1
1
223
Sandrine Lteif
2
77
1
1
230
Xujie Lu
2
74
1
3
230
Wenge Yang
2
74
1
3
230
Kejun Bu
2
74
1
3
230
Songhao Guo
2
74
1
3
239
Feng Lin
2
73
3
4
239
Biwei Xiao
2
73
4
4
239
Sha Tan
2
73
1
2
239
Khalil Amine
2
73
7
16
239
Gui-Liang Xu
2
73
5
8
239
Xiang Li
2
77
2
2
239
Enyuan Hu
2
73
6
8
239
Xiao-Qing Yang
2
73
9
13
239
Xiaolin Li
2
73
4
6
239
Yuxin Zhang
2
73
2
2
239
Yichao Wang
2
73
2
2
239
Fredrick Omenya
2
73
2
3
251
Michael Shatruk
14
138
1
1
265
Hong-Fa Xiang
2
81
4
4
276
Azza Ben-Akacha
4
111
1
1
277
Michael G Roper
4
59
1
1
277
Robert T Filla
2
48
1
1
281
Zachary A Vanorman
9
160
1
1
281
Lea Nienhaus
13
180
1
1
283
Yan Li
2
51
2
2
286
Maya Chaaban
4
76
1
1
291
Theo Siegrist
2
28
1
1
291
Xinsong Lin
3
49
1
1
291
Geoffrey F Strouse
6
60
1
1
297
Zhicheng Jin
2
50
1
1
297
Hedi Mattoussi
5
80
1
1
297
Sisi Wang
2
41
1
1
297
Neda Arabzadeh Nosratabad
2
50
1
1
297
Liang Du
3
65
1
1
304
Alyssa Gaiser
3
52
1
1
304
Stosh A Kozimor
5
65
2
2
304
Andrew J Gaunt
5
65
2
2
304
Thomas Albrecht-Schönzart
14
153
1
1
304
Enrique R Batista
5
65
2
2
304
Michael T Janicke
4
52
2
2
304
Conrad A P Goodwin
6
69
2
2
304
Robert W Schurko
8
110
1
1
304
Cory J Windorff
5
50
1
1
304
Jing Su
2
38
1
1
304
Stephen J Loeb
4
67
2
2
304
Brian L Scott
5
65
2
2
304
Frankie D White
5
63
1
1
304
Joseph M Sperling
6
91
1
1
304
Benjamin H Wilson
4
67
2
2
304
Lauren M Stevens
4
52
2
2
304
Ping Yang
4
65
2
2
336
Sarah Wieghold
7
74
1
1
336
Kelong Zhu
2
34
3
3
336
Christopher A O'keefe
2
32
1
4
339
Anthony W Schlimgen
3
27
1
3
339
Yang Ping
4
40
1
1
341
Mo Yang
2
43
1
1
341
Yuhui Chen
3
52
1
1
343
Samir Abou Shaheen
2
22
1
1
360
Samuel Grant
2
35
1
1
360
Scott M Stagg
2
35
1
1
360
Mayassa J Bou-Dargham
2
31
1
1
360
Justin G Kennemur
3
40
1
1
381
Ryan E Baumbach
5
50
1
1
381
Eric J Schelter
2
32
2
3
394
Ethan C Self
2
20
1
1
394
Hong Fang
2
20
2
4
394
Puru Jena
2
20
2
4
394
Jagjit Nanda
2
20
1
12
394
David Mitlin
2
20
1
2
394
Gabriel dos Passos Gomes
3
32
3
6
415
Okten Ungor
5
44
1
1
417
Hai-Ping Cheng
2
17
2
5
417
Duy Le
2
17
2
5
417
Todd N Poe
3
39
1
1
417
Harry Ramanantoanina
2
28
1
2
417
Cristian Celis-Barros
6
60
1
1
417
Tao Jiang
2
17
2
4
417
María Joaquina Beltrán-Leiva
4
43
1
1
417
Talat S Rahman
2
17
3
7
434
Joel M Smith
2
23
1
1
449
Qingpu Wang
2
24
1
1
449
Oliver Steinbock
6
48
1
1
449
Luis Balicas
2
16
2
14
462
Gregory B Dudley
2
15
1
1
462
Andrew R Cook
2
18
4
4
462
Stephen Mezyk
2
18
4
4
462
Gregory P Horne
2
18
4
4
462
Mark R Yarolimek
2
20
1
1
462
Brianna M Coia
2
20
1
1
462
Travis S Grimes
2
18
4
4
462
Wesley J Eaton
2
20
1
1
480
Gerd Ulrich Nienhaus
2
15
2
3
480
Karin Nienhaus
2
15
2
2
485
Christian Bleiholder
2
14
1
1
518
Judith K Clark
4
18
1
1
518
Rachel L Abbett
3
13
1
1
523
Franco Martín Zanotto
2
8
1
1
523
James H Frederich
2
8
1
1
523
Alexander S Bieber
2
11
1
1
535
Lei Zhu
2
13
2
5
551
Jasleen K Bindra
2
9
1
1
551
Vincent Yannello
3
8
1
1
551
Bassem S Bassil
2
9
2
2
551
Ovidiu Garlea
2
7
3
7
551
Ulrich Kortz
2
9
3
14
551
Jared Kinyon
3
10
1
1
551
Zhengguo Lin
2
9
1
1
551
Naresh Dalal
2
9
1
1
572
Rodney A Tigaa
2
6
1
1
572
Susan E Latturner
3
7
1
1
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