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#
Author
Articles
Citations
R ARank
R CRank
1
Jiangbin Xia
1
3,509
3
2
1
Gang Li
1
3,509
34
5
1
Yongye Liang
1
3,509
26
5
4
Phillip B Messersmith
2
1,492
13
2
4
Henrik Birkedal
1
1,314
12
1
4
Niels Holten-Andersen
3
1,512
3
2
4
Bruce P Lee
1
1,314
9
3
4
Matthew J Harrington
2
1,492
3
1
4
J Herbert Waite
1
1,314
13
2
10
Feng He
1
647
28
3
11
Gregory A Voth
137
6,845
2
3
12
Hui Gao
1
431
4
4
12
Jiwoong Park
3
586
5
4
12
Sol Gruner
1
431
13
10
12
Saien Xie
1
431
10
4
12
Yi Jiang
1
431
9
3
12
Veit Elser
1
431
7
3
12
Yimo Han
1
431
18
9
12
Zhen Chen
1
431
19
3
12
David A Muller
1
431
57
34
12
Pratiti Deb
1
431
3
3
23
Laura Gagliardi
23
759
6
15
23
Joachim Sauer
1
281
7
5
23
Hao Lyu
1
281
11
3
23
Nikita Hanikel
1
281
4
5
23
Omar M Yaghi
1
281
34
39
23
Xiaokun Pei
1
281
4
5
23
WooSeok Jeong
2
293
3
2
23
Saumil Chheda
1
281
4
4
32
Michele Parrinello
2
318
10
11
32
Dan Mendels
1
248
4
5
34
Carsten Mim
2
301
2
2
34
Adam Frost
1
220
9
20
34
Edward Lyman
6
588
3
1
37
Rui Jin
1
212
2
1
37
Markus Deserno
1
212
4
6
37
Tobias Baumgart
1
212
11
10
37
Reinhard Lipowsky
1
212
3
2
37
Dimitrios Stamou
1
212
8
6
37
Artú Breuer
1
212
2
2
37
Vadim A Frolov
1
212
6
11
37
Michael M Kozlov
1
212
7
13
37
Thomas R Weikl
1
212
4
3
37
Ludger Johannes
2
383
2
5
37
Wade F Zeno
1
212
3
3
37
Thomas J Pucadyil
1
212
6
5
37
Helmut Grubmüller
1
212
6
5
37
Rumiana Dimova
1
212
8
5
37
Line Lauritsen
1
212
2
2
37
Camille Simon
1
212
1
1
37
Patricia Bassereau
2
383
3
2
37
Herre Jelger Risselada
1
212
3
2
37
Reinhard Jahn
1
212
22
22
37
Pavel V Bashkirov
1
212
4
4
37
Jeanne C Stachowiak
1
212
10
7
37
Cecile Sykes
1
212
5
2
59
Gerrick E Lindberg
4
397
3
1
59
Chen Chen
2
308
2
2
59
David A Mazziotti
6
293
3
4
59
Ying-Lung Steve Tse
6
543
3
2
63
Ka Yee C Lee
10
657
2
2
64
Tae Hee Han
1
178
2
1
64
Kevin P White
1
178
27
47
64
Bridget C Lear
1
178
3
3
64
Gareth H Mckinley
1
178
24
14
64
Aaron R Dinner
10
553
3
12
64
Devon L Moose
1
178
9
2
64
Casey O Diekman
1
178
8
2
64
Dejian Ren
1
178
2
7
64
Alan L Hutchison
1
178
3
7
64
Aditya Jaishankar
1
178
2
2
64
Matthew Harrington
1
178
1
1
64
Matthieu Flourakis
1
178
1
1
76
Nora Kory
1
175
3
2
76
Robert V Farese
4
254
4
28
76
Morris E Sharp
4
239
1
1
76
Tobias C Walther
4
254
2
18
81
Anne K Kenworthy
1
171
15
657
81
Andrew Callan-Jones
1
171
3
4
81
Mijo Simunovic
3
329
3
3
81
Dhiraj D Bhatia
1
171
5
3
81
Henri-François Renard
1
171
2
2
81
Krishnan Raghunathan
1
171
9
1
87
Zhenpeng Yao
1
170
18
11
87
Andrew S Rosen
1
170
4
4
87
Alán Aspuru Guzik
1
170
73
96
87
Debmalya Ray
7
270
3
3
87
Justin M Notestein
1
170
11
6
87
Randall Q Snurr
1
170
21
29
94
Steven J Sibener
1
167
9
7
94
Seth B Darling
1
167
23
16
96
Walter C Ermler
2
146
4
2
97
Anand Srivastava
2
208
3
3
98
Yiling Yu
2
142
7
8
98
Dmitri Basov
1
140
41
33
98
Baichang Li
2
142
5
9
98
Linyou Cao
1
140
11
8
98
James C Hone
2
142
40
81
98
Sang Hoon Chae
2
142
10
21
98
Chibeom Park
1
140
4
5
98
Ipshita Datta
1
140
8
8
98
Gaurang Ravindra Bhatt
2
142
7
6
98
Michal Lipson
1
140
14
14
98
Mohammad Amin Tadayon
1
140
4
2
110
Luping Yu
2
151
7
6
111
Graham R Fleming
3
158
9
32
112
Joseph A Fournier
6
286
2
4
112
Louis H Philipson
1
105
32
35
112
Andrei Tokmakoff
29
923
3
3
112
Nicholas H C Lewis
11
378
2
2
112
William B Carpenter
9
360
2
2
112
Norbert F Scherer
6
204
3
5
112
Stanislav Burov
1
105
4
5
112
Margaret L Gardel
1
105
15
22
120
Aleksander E P Durumeric
3
149
2
2
120
James Dama
2
126
2
3
120
Jacob W Wagner
5
207
2
2
123
Revati Kumar
3
146
6
4
124
Anuj Chaudhri
2
173
1
1
125
Mike Reppert
2
110
6
27
126
Andrew M Herring
2
113
9
14
126
Kwiseon Kim
1
91
3
2
128
Andrew D White
4
188
4
4
129
Ruhong Zhou
1
83
32
43
129
Seung-gu Kang
1
83
4
6
129
Jessica M J Swanson
11
493
2
6
132
Charles M Lieber
1
82
10
20
132
Bozhi Tian
2
107
11
22
134
Ruibin Liang
4
220
3
2
134
Francisco X Vázquez
2
103
3
2
136
Eva Y Chi
2
126
8
8
136
Fehmi Bardak
1
78
3
3
136
Edward L Quitevis
1
78
6
7
139
Lanyuan Lu
3
164
1
3
140
Sandeep Yadav
1
76
1
1
141
Martin McCullagh
2
111
5
4
142
Jie Hu
2
110
2
5
143
Alex Dickson
1
71
3
6
144
Grant M Rotskoff
1
70
5
6
145
Rajib Biswas
5
203
2
2
146
Binhua Lin
4
116
5
6
146
J Michael Henderson
5
111
2
2
146
Mark L Schlossman
1
67
9
8
146
Theodore L Steck
2
72
4
6
146
Zhiliang Gong
2
72
2
3
151
Gregory Engel
10
229
2
19
151
Andrew F Fidler
3
99
3
3
153
Biman Bagchi
1
64
14
11
153
Edward W Castner Jr
1
64
11
11
153
Ajaykumar Gopal
2
107
2
4
153
Takefumi Yamashita
2
127
5
2
157
Christopher J Knight
2
83
4
4
158
Michael Dennin
1
62
6
7
158
Alan J Waring
2
82
14
25
158
Piotr Ruchala
2
82
11
16
158
Frans J Walther
2
82
19
23
158
Luka Pocivavsek
1
62
8
5
158
Thomas A Witten
3
118
4
9
164
Eric Beitz
1
61
5
5
164
Binghua Wu
1
61
4
4
164
Hanning Chen
1
61
13
14
164
William Carpenter
1
61
3
4
168
Stacey A Maskarinec
1
60
6
7
169
Igor Coropceanu
3
102
5
9
169
Nivedina Sarma
1
57
1
1
169
Alexander Eychmüller
1
57
19
32
169
Samuel W Teitelbaum
1
57
7
5
169
David T Limmer
1
57
8
17
169
James K Utterback
1
57
5
7
169
Trung Dac Nguyen
1
57
8
9
169
Naomi S Ginsberg
1
57
9
8
169
Joshua Portner
1
57
4
5
169
Dmitri V Talapin
8
239
5
15
169
Christopher J Tassone
1
57
3
4
169
Margaret H Hudson
3
118
2
2
169
Monica Olvera de la Cruz
1
57
15
21
169
Danny Haubold
1
57
1
1
169
Avishek Das
1
57
2
2
169
Alex Hinkle
1
57
1
1
185
Christophe Delerue
1
56
6
11
185
Joseph J Falke
3
149
4
6
185
Menglu Chen
1
56
6
4
185
Philippe Guyot-Sionnest
1
56
3
4
185
Byeongdu Lee
1
56
37
44
185
C Mark Maupin
1
56
9
9
185
Xinzheng Lan
1
56
13
22
185
Chun-Liang Lai
3
164
2
2
193
Ralf Langen
1
55
10
16
194
Jaehyeok Jin
8
307
2
2
195
Thomas Dannenhoffer-Lafage
6
142
2
2
196
H-G Steinrück
2
97
6
10
196
Michael F Toney
2
97
45
73
196
Nicholas J Weadock
2
97
3
2
196
Maria R Lukatskaya
2
97
8
20
196
Edward J Maginn
3
141
4
20
196
Michael F Toney
2
97
52
90
196
Julian Mars
1
52
4
6
196
Yong Zhang
3
141
2
5
204
Andrea Grafmueller
2
83
1
2
204
Alexander J Pak
2
95
3
6
206
John Savage
3
128
2
2
207
Jaroslaw Majewski
1
48
6
9
208
Glen M Hocky
6
157
3
6
208
David R Kovar
1
47
19
34
208
Jenna R Christensen
1
47
5
7
211
Stuart A Rice
3
93
22
55
212
Oleg Borodin
1
45
29
51
212
Michal Bajdich
1
45
14
23
214
James H Hurley
1
44
14
666
214
Karl F Freed
15
280
4
6
214
Emily V Carino
1
44
2
4
214
Jun Fan
3
81
8
16
214
Elizabeth C Martin
2
55
4
8
214
Sara C Massey
2
55
3
3
214
Marco A Allodi
2
55
4
8
214
Adam L Yokom
1
44
3
7
214
Arpa Hudait
1
44
4
6
214
Thomas G Flower
1
44
2
2
214
Po-Chieh Ting
2
55
3
3
214
Yoshinori Takahashi
1
44
5
657
214
Kevin M Rose
1
44
1
1
214
Hong-Gang Wang
1
44
130
865
214
Nicholas Tjahjono
1
44
1
3
214
C Neil Hunter
2
55
20
35
214
Bogdan Dereka
3
77
3
4
214
Enrique M De La Cruz
2
83
6
14
214
Esmael J Haddadian
1
44
3
5
233
Jin Ryoun Kim
1
43
4
4
233
Yining Han
6
129
2
2
233
Rui Sun
3
114
4
3
233
Haim Diamant
1
43
9
7
237
Xin-Xing Zhang
3
72
4
4
237
Chi-Jui Feng
1
42
2
24
237
Kevin C Jones
1
42
5
9
237
Carlos R Baiz
1
42
6
29
237
Maria-Jesus Olarte
1
42
2
4
237
Siyoung Kim
5
111
3
3
243
Jia-Ahn Pan
2
62
2
2
243
Justin C Ondry
1
41
3
4
243
Heather B Mayes
1
41
6
7
246
Ariel Fernández Stigliano
2
59
9
11
246
Olaseni Sode
1
40
5
4
246
Jefferson D Knight
1
40
5
6
250
Anton V Sinitskiy
3
59
3
2
250
Joseph L Baker
2
52
6
7
250
Michael J Bradley
1
39
3
8
253
Feng Zhai
1
38
4
4
253
Zhi-yong Zhang
1
38
6
13
253
Richard F Jordan
1
38
6
6
253
Lili Wang
2
38
3
5
253
Karissa Y Sanbonmatsu
1
38
11
22
258
Sergei Izvekov
1
37
4
8
259
Alvin Yu
1
36
4
5
259
Wah Chiu
1
36
52
123
259
Guohui Wu
1
36
3
8
262
Christopher Cramer
3
58
16
91
262
Haomiao Xie
1
35
8
10
262
Kent O Kirlikovali
1
35
13
12
262
Haochuan Mao
1
35
3
4
262
Harold H Kung
1
35
16
23
262
David R Myers
1
35
9
17
262
Xinyou
1
35
6
9
262
Cheng Zhu
1
35
24
52
262
Teffanie Goh
1
35
1
1
262
Walter H A Kahr
1
35
17
47
262
Mohammad Rasel Mian
1
35
7
7
262
Connie C Lu
1
35
9
13
262
Xingjie Wang
2
46
9
12
262
Aditya Bhan
1
35
12
12
262
Jenny G Vitillo
3
63
7
10
262
Lining Ju
1
35
8
17
262
Omar K Farha
3
51
26
103
262
John H Hack
2
55
1
2
262
Michael R Wasielewski
1
35
31
94
262
Jiaxin Duan
2
52
3
5
262
Chenghan Li
13
203
2
2
284
Justin R Caram
1
34
8
22
285
and Ilona Kretzschmar
1
33
12
19
285
Yanting Wang
1
33
8
13
285
Raymond S Tu
1
33
3
4
285
Sepideh Razavi
1
33
4
5
285
Giacomo Saielli
1
33
6
8
290
Eva G Noya
1
32
4
6
291
Paul B Calio
6
77
1
1
291
Gergely Gidofalvi
2
58
5
40
293
Ryan J Menssen
2
39
1
1
294
Andrew M Moran
1
29
8
14
294
René A Nome
1
29
4
6
296
Donald G Truhlar
8
97
6
103
296
Jie J Bao
1
28
3
14
298
Michael Engel
1
27
10
25
298
Paul Braun
1
27
35
72
298
Paul V Braun
1
27
12
36
301
Seogjoo J Jang
3
38
5
11
302
Steven A Corcelli
1
25
11
38
302
Jinbo Xu
1
25
7
21
302
Xin Gao
1
25
30
50
302
Yu Li
1
25
5
8
302
Gary S Grest
1
25
14
24
302
Lukas Whaley-Mayda
3
52
2
2
302
Zongan Wang
2
37
2
2
302
Jiangbin Gong
1
25
17
28
302
Abhirup Guha
2
33
1
1
302
John F Zimmerman
2
25
6
10
302
Sheng Wang
1
25
14
23
313
Xuedan
1
24
3
11
313
Qing Wang
1
24
32
58
313
Abhijit Hazarika
1
24
7
12
313
Moritz Cygorek
1
24
4
5
313
Pawel Hawrylak
1
24
12
12
313
Lintao Peng
1
24
8
8
319
Carlo Alberto Gaggioli
4
59
3
14
319
Michael E Ziebel
1
23
4
10
319
Smaranda C Marinescu
1
23
4
6
322
Henning Arlt
1
22
1
2
322
Yuan Yang
1
22
28
49
322
Jeeyun Chung
1
22
4
5
322
Himanshu N Sarode
1
22
3
7
327
Himchan Cho
1
21
9
15
327
Matthew R Hermes
4
59
4
24
327
Tatiana B Kouznetsova
1
21
4
8
327
Junpeng Wang
1
21
7
11
327
Stephen Craig
1
21
17
29
327
Yuanyuan Wang
1
21
4
5
327
Riddhish Pandharkar
3
47
3
4
334
Joel Bowman
1
20
34
55
334
Qi Yu
1
20
7
12
334
Hung Q Pham
1
20
4
22
334
Abhishek Mitra
2
31
1
1
338
Robert F Higgins
1
19
7
11
338
Yusen Qiao
1
19
7
10
338
Scott A Pattenaude
1
19
5
7
338
Bin Hu
1
19
17
28
338
Thomas Albrecht-Schönzart
1
19
31
41
338
Matthias Zeller
1
19
92
102
338
Huidong Zang
1
19
5
9
338
Ryan E Baumbach
1
19
13
17
338
Ilia N Ivanov
1
19
29
55
338
Eric J Schelter
1
19
13
20
338
Luyao Lu
1
19
12
27
338
Suzanne C Bart
1
19
10
15
338
Shane S Galley
1
19
5
8
338
Tyler S Collins
1
19
3
3
338
Joseph M Sperling
1
19
6
11
338
Yu-Che Hsiao, Yu-Jer Hsiao
1
19
4
5
354
Zixuan Hu
3
37
4
7
354
Fahhad H Alharbi
1
18
7
11
354
Sabre Kais
4
48
8
18
354
Jacek Dudowicz
3
37
3
3
354
Jack F Douglas
3
37
8
31
359
Anish R Roy
1
17
2
2
359
Subhadip Goswami
1
17
13
22
359
Joseph T Hupp
1
17
30
72
362
Brennan Ashwood
3
38
2
5
362
Francesco Paesani
1
16
12
30
362
Qing Dai
2
27
8
53
362
Chuan He
2
27
39
202
366
David J Srolovitz
1
15
49
86
366
Joel Berry
1
15
9
14
366
Simeon Ristić
1
15
1
1
366
Daniel S King
1
15
3
5
370
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3
23
2
2
371
George C Schatz
1
13
52
156
371
Aysenur Iscen
1
13
3
7
373
John M Jumper
1
12
5
8
373
Jack Douglas
3
31
11
36
373
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1
12
8
19
373
Zhi Yue
3
32
2
4
373
Dayou Zhang
1
12
3
4
373
Hao Zhang
1
12
10
25
373
Christopher Arntsen
3
28
1
2
380
Xuan Zhang
1
11
16
39
380
Wei Chen
1
11
22
43
380
Ryther Anderson
1
11
4
6
380
Sandra M Ciborowski
1
11
7
9
380
Gaoxiang Liu
1
11
7
11
380
Penghao Li
1
11
6
11
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Prachi Sharma
1
11
3
16
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Jeremy D Marks
1
11
9
14
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Kit H Bowen
1
11
23
32
380
Rachel M Harris
1
11
3
4
380
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1
11
16
39
380
Shuo Qian
1
11
7
23
380
Lennane Michel Espinoza-Fonseca
1
11
4
6
380
Todd Emrick
1
11
20
38
380
Sara H Sohail
1
11
3
3
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1
11
8
11
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J Fraser Stoddart
1
11
79
133
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Diego A Gómez-Gualdrón
1
11
5
15
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1
11
20
35
380
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1
11
18
59
380
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1
11
5
9
403
Simon Newstead
1
9
9
31
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Alexander V Mironenko
1
9
2
4
403
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1
9
1
3
403
Daniel J Cosgrove
1
9
9
21
407
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1
8
4
24
408
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1
5
12
31
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Laurie J Butler
1
5
2
3
408
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1
5
12
29
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1
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11
29
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1
5
2
5
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1
5
3
3
408
Julia G Knapp
1
5
5
9
408
Thais R Scott
2
7
4
9
408
Erin J Adams
1
5
4
14
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Christopher H Hendon
1
5
19
61
408
Gregory T Tietjen
1
5
5
11
408
Jenna L Mancuso
1
5
4
7
408
Theodore Steck
1
5
1
1
408
Megan C Wasson
1
5
9
20
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Wei Bu
1
5
16
27
408
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1
5
2
4
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Xin-Ping Wu
1
5
10
15
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1
5
5
13
408
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1
5
1
1
408
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1
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3
6
428
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2
4
2
5
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1
4
5
7
428
Justin A Modica
1
4
6
8
428
Milan Mrksich
1
4
19
57
428
Benoı̂t Roux
1
4
30
73
428
Vinayak P Dravid
1
4
25
70
428
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1
4
10
26
428
Reiner Bleher
1
4
8
18
428
Lin Fa
2
4
1
2
428
Peng He
1
4
8
14
438
Arturo Sauza-de la Vega
1
3
1
1
438
Tomás Rocha-Rinza
1
3
5
8
440
Won Hee Ryu
1
2
1
1
440
Eva Vos
1
2
1
1
440
Ines Corral
1
2
3
8
440
Jesus Gonzalez-Vazquez
1
2
2
14
444
Saurabh Kumar Singh
1
1
11
24
444
John D Despotopulos
1
1
1
1
444
Saphon Hok
1
1
3
6
444
Carlos A Valdez
1
1
2
9
444
Maryline G Ferrier
1
1
6
13
449
Alessandro Perego
1
0
1
0
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Bret N Flanders
1
0
6
17
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Fardin Khabaz
1
0
2
7
449
Alexander S Filatov
1
0
17
38
449
Yingrui Wu
1
0
1
0
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