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Materials and Process Simulation Center
771
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57.9K
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116
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211
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808
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60.5K
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3.0K
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Top Authors (by citations)
#
Author
Articles
Citations
R ARank
R CRank
1
William A Goddard
363
41,187
1
1
2
William Goddard
470
39,617
1
1
3
Adri van Duin
24
5,017
2
1
4
Xin Xu
10
4,626
4
2
5
Tahir Cagin
43
4,024
1
1
6
Tao Cheng
45
3,599
1
1
7
Tao Cheng
44
3,516
1
1
8
Diego Benitez
22
3,431
1
1
9
Igor Ying Zhang
3
3,411
4
3
10
J Fraser Stoddart
38
3,183
7
7
11
Yousung Jung
4
3,132
12
4
12
Shane R Yost
2
3,079
3
3
12
Christopher Cramer
2
3,079
27
9
12
Daniel S Lambrecht
2
3,079
6
5
12
John A Parkhill
2
3,079
5
3
12
Thomas-C Jagau
2
3,079
5
3
12
Anna I Krylov
2
3,079
15
9
12
Andreas W Hauser
2
3,079
2
2
12
Shaama Mallikarjun Sharada
2
3,079
6
3
12
Roberto Peverati
2
3,079
6
5
12
Eric J Berquist
2
3,079
3
2
12
Jaehoon Kim
2
3,079
1
1
12
YIhan Shao
2
3,079
34
11
12
Dirk R Rehn
2
3,079
3
2
12
Prashant Uday Manohar
2
3,079
2
2
12
Lyudmila V Slipchenko
2
3,079
9
4
12
Nicholas J Mayhall
2
3,079
5
2
12
Narbe Mardirossian
2
3,079
4
3
12
John M Herbert
2
3,079
9
8
12
Xing Zhang
2
3,079
6
5
12
Arik Landau
2
3,079
5
2
12
Matthew B Goldey
2
3,079
3
2
12
Ryan P Steele
2
3,079
4
3
12
David W Small
2
3,079
2
2
12
Evgeny Epifanovsky
2
3,079
4
3
12
Ka Un Lao
2
3,079
4
3
12
Jeng-Da Chai
2
3,079
5
5
12
Christian Ochsenfeld
2
3,079
8
4
12
Martin Head-Gordon
2
3,079
19
10
12
Thomas R Furlani
2
3,079
5
4
12
Jörg Kussmann
2
3,079
2
2
12
Ksenia B Bravaya
2
3,079
5
4
12
Andreas Klamt
2
3,079
1
1
12
Michael Diedenhofen
2
3,079
2
2
12
Alexis T Bell
2
3,079
8
4
12
WanZhen Liang
2
3,079
11
4
12
Takashi Tsuchimochi
2
3,079
3
2
12
Magnus W D Hanson-Heine
2
3,079
4
4
12
Jan Wenzel
2
3,079
2
2
12
Barry D Dunietz
2
3,079
13
5
12
Chao-Ping Hsu
2
3,079
13
6
12
Vitaly A Rassolov
2
3,079
7
6
12
Paul M Zimmerman
2
3,079
11
5
12
Donald G Truhlar
2
3,079
33
8
12
Alán Aspuru Guzik
2
3,079
32
9
12
David Casanova
2
3,079
15
4
12
Alec F White
2
3,079
7
5
12
Shervin Fatehi
2
3,079
4
3
12
Eric Jon Sundstrom
2
3,079
3
3
12
Aleksandr V Marenich
2
3,079
3
3
12
Nicholas A Besley
2
3,079
12
5
12
Peter M W Gill
2
3,079
10
6
12
Keith Lawler
2
3,079
8
2
12
Tim Kowalczyk
2
3,079
7
4
12
Joseph E Subotnik
2
3,079
8
4
12
Robert A Distasio Jr
2
3,079
11
6
12
Henry Lee Woodcock
2
3,079
7
9
12
Ryan M Richard
2
3,079
9
6
12
Troy Van Voorhis
2
3,079
12
6
12
Kristina D Closser
2
3,079
2
2
12
Xintian Feng
2
3,079
3
3
12
Zhi-Qiang You
2
3,079
5
4
12
Yu-Chuan Su
2
3,079
1
1
12
Caroline M Krauter
2
3,079
2
2
12
Oleg Vydrov
2
3,079
1
1
12
Leif D Jacobson
2
3,079
3
2
12
Adrian W Lange
2
3,079
3
2
12
Dmitry Zuev
2
3,079
4
3
82
Boris V Merinov
20
2,954
1
1
83
Ekaterina Tkatchouk
17
2,932
1
1
84
Wei-Qiao Deng
15
2,745
1
1
85
Hai Xiao
24
2,614
2
2
86
Sergey V Levchenko
1
2,561
10
6
86
Mark S Gordon
1
2,561
31
10
86
Shawn T Brown
1
2,561
17
6
86
Arieh Warshel
1
2,561
11
5
86
Roi Baer
1
2,561
17
4
86
Jun Yang
1
2,561
10
6
86
Adèle D Laurent
1
2,561
7
3
86
Jing Kong
1
2,561
4
2
86
Rollin A King
1
2,561
15
8
86
Yan Zhao
1
2,561
20
6
86
Edward G Hohenstein
1
2,561
18
7
86
Gregory J O Beran
1
2,561
14
4
86
Young Min Rhee
1
2,561
11
4
86
Bernard R Brooks
1
2,561
22
9
86
Eric Neuscamman
1
2,561
8
4
86
C David Sherrill
1
2,561
28
13
86
Roberto Olivares-Amaya
1
2,561
3
3
86
Deborah L Crittenden
1
2,561
6
3
86
Leslie Vogt
1
2,561
8
3
86
Kai Brandhorst
1
2,561
2
2
86
Rustam Z Khaliullin
1
2,561
9
2
86
Edina Rosta
1
2,561
15
4
86
Daniel M Chipman
1
2,561
2
2
86
An Ghysels
1
2,561
3
1
86
Henry F Schaefer
1
2,561
54
11
86
Jing Kong
1
2,561
58
10
86
Debashree Ghosh
1
2,561
7
4
86
Mark Gordon
1
2,561
16
7
86
Tamar Stein
1
2,561
5
2
86
Florian Häse
1
2,561
17
9
86
Steven Gwaltney
1
2,561
19
7
86
Joerg Kussmann
1
2,561
1
1
86
Ben Albrecht
1
2,561
1
1
86
Ester Livshits
1
2,561
3
1
86
Anthony D Dutoi
1
2,561
5
3
125
Qi An
67
2,509
2
1
126
Yu Huang
7
2,456
16
10
127
Xiangfeng Duan
7
2,439
13
12
128
Sang Soo Han
10
2,420
1
1
129
Zhaoyang Lin
4
2,278
7
4
130
Ted H Yu
14
2,268
1
1
131
Zipeng Zhao
5
2,076
6
6
133
Yuanyue Liu
8
1,946
5
6
134
Mu-Jeng Cheng
29
1,826
2
2
135
Mufan Li
3
1,782
4
5
136
Rong Yu
2
1,756
10
4
137
Alejandro Strachan
21
1,727
2
1
138
Seung Soon Jang
22
1,725
2
2
139
Enbo Zhu
3
1,672
6
5
140
Alessandro Fortunelli
11
1,648
2
1
141
Michael R Wasielewski
21
1,577
4
5
142
Vyacheslav S Bryantsev
6
1,514
2
1
143
Francisco Dean Toste
7
1,501
6
6
144
Siddharth Dasgupta
10
1,496
1
1
146
Ravinder Abrol
38
1,442
1
1
147
Yufeng Huang
4
1,405
1
1
148
Qingying Jia
2
1,349
6
4
149
Chih-Yen Chen
1
1,292
13
5
149
Qinghua Zhang
1
1,292
104
13
149
Yu Huang
1
1,292
33
5
149
Lin Gu
1
1,292
161
29
153
Yuping Wang
19
1,286
2
4
154
Prabal K. Maiti
9
1,218
3
2
155
Shiang-Tai Lin
8
1,210
5
4
156
Robert J Nielsen
23
1,206
1
1
157
Albert C Fahrenbach
11
1,201
2
2
158
Mario Blanco
11
1,154
1
1
159
Zhifeng Ren
2
1,124
28
16
159
Haiqing Zhou
2
1,124
5
2
159
Jingying Sun
2
1,124
8
2
159
Jiming Bao
2
1,124
20
7
159
Shuo Chen
2
1,124
16
9
164
Edward Kober
3
1,018
1
1
164
Omar M Yaghi
3
1,018
15
21
164
Hiroyasu Furukawa
3
1,018
11
12
168
Yue Qi
10
1,003
2
3
169
Roy A Periana
10
917
3
2
170
William L Johnson
9
909
1
1
171
Wei-Guang Liu
19
828
1
1
172
Jose L Mendoza-Cortes
5
818
1
3
173
Fan Qin
1
812
7
7
174
Hyeyoung Shin
4
802
2
2
175
Zhichang Liu
11
747
2
2
176
Marco Frasconi
14
742
2
2
177
Ali Trabolsi
5
726
4
3
178
Yao Sha
9
705
1
1
179
Mark A Olson
4
691
3
2
180
Lianchi Liu
7
689
1
2
181
Linda C Hsieh-Wilson
3
652
4
3
182
T Brent Gunnoe
22
649
3
4
183
Valeria Molinero
5
640
2
2
184
Guodong Li
28
628
1
2
185
Douglas C Friedman
4
618
2
2
186
John T Groves
6
610
5
3
187
Peter L Freddolino
4
598
4
3
188
Yong-Hoon Kim
10
595
2
1
189
Xiao-Qing Pan
3
585
40
27
190
Andres Jaramillo-Botero
16
582
1
1
191
Wei Liu
2
576
6
3
192
G. Jeffrey Snyder
18
566
3
30
193
Youssry Y Botros
6
558
2
3
194
Chengzhang Wan
3
554
4
9
195
Wen Yi
1
527
4
2
195
Eric C Peters
1
527
5
4
197
Hung-Chieh Cheng
2
522
8
6
198
Jin Huang
2
521
3
3
199
Nicole Bellonzi
1
518
4
3
199
Yuezhi Mao
1
518
13
4
199
Abel Carreras
1
518
5
3
199
Pavel Pokhilko
1
518
4
3
199
Tomasz A Wesolowski
1
518
7
15
199
Susi Lehtola
1
518
14
9
199
Katherine J Oosterbaan
1
518
4
2
199
James R Gayvert
1
518
2
2
199
Jeffrey B Neaton
1
518
37
20
199
Mario Hernández Vera
1
518
2
1
199
Sebastian Ehlert
1
518
23
18
199
Thomas Markovich
1
518
2
2
199
Sahil Gulania
1
518
2
2
199
Yu Zhang
1
518
13
6
199
Kevin Carter-Fenk
1
518
4
4
199
Daniel S Levine
1
518
5
4
199
Marc P Coons
1
518
2
2
199
Jonathan Thirman
1
518
3
2
199
Qingguo Feng
1
518
6
2
199
Wojciech Skomorowski
1
518
7
2
199
Kevin J Koh
1
518
7
7
199
Josefine H Andersen
1
518
2
2
199
Kerwin Hui
1
518
2
2
199
Atsushi Yamada
1
518
6
3
199
Alexandre Tkatchenko
1
518
24
35
199
Yi-Pei Li
1
518
5
2
199
Hugh G A Burton
1
518
3
2
199
Ádám Jász
1
518
2
1
199
Hanjie Jiang
1
518
5
4
199
Dennis Barton
1
518
1
1
199
Alex J W Thom
1
518
11
5
199
Alan E Rask
1
518
2
2
199
Kuan-Yu Liu
1
518
3
3
199
Gábor János Tornai
1
518
1
1
199
Alan D Chien
1
518
2
2
199
Run R Li
1
518
2
2
199
Kaushik D Nanda
1
518
3
3
199
Alexander A Kunitsa
1
518
3
2
199
Matthias Loipersberger
1
518
6
3
199
Fabijan Pavošević
1
518
5
2
199
Sharon Hammes-Schiffer
1
518
17
12
199
Triet S Nguyen
1
518
2
2
199
Alexander Zech
1
518
6
14
199
Sonia Coriani
1
518
27
27
199
Romit Chakraborty
1
518
3
2
199
Jan-Michael Mewes
1
518
2
2
199
Elliot C Rossomme
1
518
2
2
199
Bang Cong Huynh
1
518
1
1
199
Andreas Dreuw
1
518
13
15
199
Daniel Lefrancois
1
518
2
2
199
Srimukh Prasad Veccham
1
518
2
2
199
Maxim V Ivanov
1
518
4
3
199
Shirin Faraji
1
518
3
2
199
Adam Rettig
1
518
2
2
199
Stefanie A Mewes
1
518
4
13
199
Eloy Ramos-Cordoba
1
518
3
2
199
Zsuzsanna Benda
1
518
4
2
199
Jiashu Liang
1
518
2
2
199
Jonathon Witte
1
518
2
2
199
K Birgitta Whaley
1
518
19
13
199
Pierpaolo Morgante
1
518
5
4
199
Alexander C Paul
1
518
3
2
199
Cristina Elizabeth González-Espinoza
1
518
2
1
199
Saswata Dasgupta
1
518
4
2
199
Anastasia O Gunina
1
518
3
8
199
Bhaskar Rana
1
518
2
2
199
Marcus D Liebenthal
1
518
2
2
199
Sven Kähler
1
518
2
1
199
Qinghui Ge
1
518
3
2
199
Marc de Wergifosse
1
518
7
2
199
Norman M Tubman
1
518
3
3
199
Joonho Lee
1
518
6
5
199
Teresa Head-Gordon
1
518
23
11
199
Michael F Herbst
1
518
2
2
199
Zhen Tao
1
518
2
1
199
Maximilian Scheurer
1
518
16
9
199
Marta L Vidal
1
518
6
6
199
Felix Plasser
1
518
16
18
199
C William Mccurdy
1
518
5
3
199
A Eugene Deprince, Iii
1
518
15
13
199
Adrian L Dempwolff
1
518
3
1
199
Maximilian F S J Menger
1
518
3
2
199
Diptarka Hait
1
518
6
4
199
István Ladjánszki
1
518
3
2
199
Kun Yao
1
518
3
2
199
Christopher J Stein
1
518
15
15
199
Aaditya Manjanath
1
518
4
3
199
Ying Zhu
1
518
1
1
199
Tarek Scheele
1
518
1
1
199
Peter F Mclaughlin
1
518
1
1
199
Manuel Hodecker
1
518
1
1
199
D Vale Cofer-Shabica
1
518
3
2
199
Tim Stauch
1
518
5
2
199
Jie Liu
1
518
4
2
199
J Wayne Mullinax
1
518
3
3
199
Garrette Paran
1
518
1
1
199
Vishikh Athavale
1
518
2
2
199
Gergely Gidofalvi
1
518
7
7
199
Stefan Prager
1
518
1
1
299
Soo-Kyung Kim
23
516
1
1
300
Ronnie Kosloff
6
507
5
7
301
Xiongyi Huang
1
478
4
3
302
Jonathan C Barnes
6
470
2
5
303
Amar H Flood
4
469
6
6
305
Jun Luo
1
464
52
30
305
Sheng Dai
1
464
96
33
305
Mengning Ding
1
464
11
8
305
Wenxing Chen
1
464
47
38
305
Hui-Long Fei
1
464
14
14
305
Philippe Sautet
1
464
26
5
305
Kaining Duanmu
1
464
7
2
305
Hongtao Sun
1
464
16
9
314
Jang Wook Choi
3
462
13
19
315
Ali Coşkun
4
461
7
9
316
Sheng-Nian Luo
9
460
4
2
317
Yi-ming Wang
1
451
4
3
318
Qi Lu
6
444
5
8
319
Gokhan Barin
5
440
2
2
320
Haochen Zhang
5
422
3
3
321
Hyungjun Kim
7
414
5
8
322
Sergey I Morozov
16
401
1
1
323
Cao Bingqiang
1
392
23
6
323
Shuhua Yang
1
392
7
3
323
X-L Zhang
1
392
28
9
323
Zhiwen Qiu
1
392
6
3
323
Xiao-Peng Yang
1
392
4
2
323
Bingqiang Cao
1
392
22
6
329
Dong-Hwa Seo
2
380
8
12
329
Dayoung Kang
2
380
13
18
332
Umut Aydemir
12
366
3
4
333
Bartosz Trzaskowski
10
363
2
2
334
Benjamin P Hay
1
361
2
1
335
Tod A Pascal
10
359
1
2
336
Mourad Elhabiri
3
357
2
2
337
Saber Naserifar
18
349
1
1
338
Himanshu Mishra
7
345
1
1
339
Kuan Chang
3
343
13
22
339
Jingguang G Chen
3
343
11
21
341
Yilei Wu
8
342
2
6
342
Jin Qian
6
339
1
1
343
Ersan Demiralp
8
335
1
1
344
Michael R. Hoffmann
6
334
3
3
345
Xun Xu
1
332
21
10
346
Alexandra M Z Slawin
2
329
38
17
347
Youyong Li
9
324
4
15
348
X-H Chen
1
323
28
18
348
Chen Wang
1
323
11
8
348
Qiyuan He
1
323
20
18
348
Imran Shakir
1
323
32
17
348
Xidong Duan
1
323
18
12
348
Chen Wang
1
323
28
9
348
Lei Liao
1
323
36
14
348
Chen Wang
1
323
10
8
348
Yun-Chiao Huang
1
323
3
3
348
Rui Cheng
1
323
9
9
348
Ziying Feng
1
323
4
3
362
Naomi Rom
3
319
1
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2
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2
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2
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5
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1
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2
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1
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2
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1
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4
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2
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4
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2
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2
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8
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1
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1
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3
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3
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3
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1
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1
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2
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1
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15
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1
71
18
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1
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1
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9
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1
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16
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1
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8
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1
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11
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5
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7
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Claire A De March
1
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2
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Serge Antonczak
1
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Haochuan Mao
2
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2
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2
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9
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2
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6
12
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2
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1
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1
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9
7
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768
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1
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1
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1
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Roman G Efremov
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1
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Nathan F Dalleska
2
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Antti Kuronen
1
58
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1
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1
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3
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20
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1
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2
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1
55
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1
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2
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1
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Thomas R Cundari
1
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21
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3
52
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Alexander Q Cusumano
3
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2
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1
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1
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1
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1
51
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5
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Matthew E O'reilly
2
51
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4
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1
50
5
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Yu Huang
1
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Michelle M Flores Espinosa
1
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3
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Ana M Geer
3
50
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1
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2
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1
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1
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1
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1
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1
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Nicola Molinari
1
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1
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2
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1
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1
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1
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23
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3
40
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5
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Sossina M Haile
1
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1
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12
24
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1
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1
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1
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9
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1
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2
38
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3
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1
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1
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1
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Stephen J Pandol
1
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1
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1
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1
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2
3
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1
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11
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2
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1
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2
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2
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4
6
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V Prakash Reddy
1
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6
6
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Debra A Kendall
1
36
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2
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David A Keire
1
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10
15
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1
35
19
29
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1
35
6
15
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1
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8
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1
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12
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1
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1
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1
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1
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1
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1
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1
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Qicheng Zhang
1
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1
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1
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18
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3
34
9
22
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1
33
5
10
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1
33
8
13
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Juhwan Noh
1
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1
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1
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1
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3
32
2
14
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Christian S Diercks
1
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25
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2
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4
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1
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1
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1
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1
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1
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Paul S Weiss
1
30
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Seung Geol Lee
1
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16
24
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Kenneth A Jacobson
1
30
39
62
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Jinshan Gao
1
30
3
3
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Daniel A Thomas
1
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4
30
2
2
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Chang Ho Sohn
1
30
2
3
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Jeffry A Kelber
4
29
5
9
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Riley Hanus
1
28
7
13
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Saurabh Bajaj
1
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6
9
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1
28
2
6
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1
27
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2
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1
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11
17
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2
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1
3
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1
26
6
11
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1
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5
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1
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1
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23
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1
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5
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1
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3
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1
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27
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Stefano Cestellos-Blanco
1
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25
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4
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4
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1
24
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42
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Steve Kyungrae Cho
1
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12
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Hyojin Ko
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1
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1
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15
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1
23
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13
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5
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23
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1
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1
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1
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1
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1
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6
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2
23
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27
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1
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22
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1
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2
23
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1
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1
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1
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1
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18
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1
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5
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2
22
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4
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2
21
11
23
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2
21
3
8
963
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1
21
3
4
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Shawn P Coleman
1
21
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4
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Troy A Stich
1
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21
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R David Britt
1
21
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38
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Kurtis M Carsch
1
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1
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7
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2
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1
20
3
4
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1
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2
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3
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2
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2
19
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1
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1
2
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1
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1
18
8
15
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Eugene Heifets
1
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3
18
2
4
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1
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1
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2
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1
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22
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2
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1
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13
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2
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2
17
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1
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11
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Heng-An Wu
1
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40
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1
17
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3
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Jubin Nathawat
1
16
8
8
992
Nannette Y Yount
1
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7
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1
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5
14
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Michael R Yeaman
1
16
17
36
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Donghun Kim
1
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13
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Jimin Kong
1
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3
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Hyun S Park
1
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7
16
999
Grayson C Johnson
2
15
3
9
999
Jean Loup M Faulon
1
15
5
14
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