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exaly
›
Journals
›
Journal of Chemical Theory and Computation
›
top-authors
›
most-cited
Journal of Chemical Theory and Computation
5.3
(top 5%)
impact factor
9.0K
(top 2%)
papers
410.1K
(top 1%)
citations
229
(top 1%)
h
-index
5.4
(top 5%)
extended IF
9.5K
all documents
441.0K
doc citations
425
(top 1%)
g
-index
Top Authors (by article citations)
#
Author
Articles
Citations
R ARank
R CRank
1
Wonpil Im
1
2,567
3
1
1
Justin A Lemkul
1
2,567
1
1
1
Alexander D Mackerell
2
2,606
2
1
1
Jeffery B Klauda
1
2,567
3
1
1
Min Sun Yeom
1
2,567
1
1
1
Jumin Lee
1
2,567
1
1
1
Sunhwan Jo
1
2,567
1
1
1
Charles L Brooks
1
2,567
2
1
1
David A Case
2
2,728
1
1
1
Vijay S Pande
1
2,567
1
1
1
Yifei Qi
4
2,676
1
1
1
Jong Cheol Jeong
1
2,567
1
1
1
Shuai Wei
1
2,567
1
1
15
Edward D Harder
1
2,349
1
1
15
Richard A Friesner
3
2,595
1
1
15
Chuanjie Wu
1
2,349
1
1
15
William L Jorgensen
2
2,453
1
1
15
Lingle Wang
2
2,414
1
1
15
Robert Abel
1
2,349
1
1
15
Markus K Dahlgren
1
2,349
1
1
15
Edward Harder
1
2,349
1
1
15
Wolfgang Damm
1
2,349
1
1
15
Dmitry Lupyan
1
2,349
1
1
25
Vikram Khipple Mulligan
1
382
1
1
25
David Baker
1
382
4
3
25
David E Kim
1
382
2
1
25
Philip Bradley
1
382
1
1
25
Yuan Liu
1
382
1
1
25
Hahnbeom Park
1
382
2
1
25
Frank DiMaio
1
382
2
3
32
Xiao He
1
364
3
2
32
Donald G Truhlar
2
419
5
4
32
Haoyu S Yu
1
364
1
2
35
Narbe Mardirossian
1
355
2
2
35
Martin Head-Gordon
5
558
2
2
37
Rodrigo Galindo-Murillo
1
351
1
1
37
Jiřı́ Šponer
4
548
1
1
37
Michal Otyepka
3
520
1
1
37
Petr Jurečka
1
351
1
1
37
James C Robertson
1
351
1
1
37
Thomas E Cheatham
2
399
1
1
37
Marie Zgarbova
1
351
1
1
44
Frank Noé
3
447
1
1
45
Cyrus Umrigar
2
360
1
1
45
Norman M Tubman
1
294
1
1
45
C J Umrigar
2
360
1
1
45
Adam A Holmes
2
360
1
1
49
Markus Reiher
6
469
1
2
49
Christopher J Stein
2
315
1
1
51
Alexander A Auer
1
231
1
1
51
Christoph Riplinger
1
231
2
2
51
Masaaki Saitow
1
231
1
1
51
Manuel Sparta
1
231
1
1
51
Frank Neese
3
437
3
2
51
Giovanni Bistoni
2
258
1
1
57
Pratyush Tiwary
1
184
2
3
57
Edward B Miller
1
184
1
1
57
B J Berne
1
184
2
2
60
Neil Qiang Su
2
179
1
1
60
Ángel J Pérez-Jiménez
1
165
2
1
60
Carlo Adamo
2
193
3
1
60
Marika Savarese
1
165
2
1
60
Xin Xu
2
179
2
1
60
Éric A G Brémond
1
165
2
1
60
Juan C Sancho García
1
165
2
2
67
Lillian T Chong
1
161
1
1
67
David S Cerutti
1
161
1
1
67
Karl T Debiec
1
161
1
1
70
Ikutaro Hamada
1
156
1
1
70
Marco Govoni
1
156
1
1
70
Peter Scherpelz
1
156
1
1
70
Ali Alavi
1
156
1
1
70
Simon D Smart
1
156
1
1
70
Giovanni Li Manni
2
200
1
2
70
Giulia Galli
1
156
1
1
77
Noa Marom
4
357
1
2
77
Xinguo Ren
1
154
2
1
77
Thomas Körzdörfer
4
366
1
1
77
Patrick Rinke
3
327
2
1
77
Joseph Ortiz
3
279
1
1
82
Qiming Sun
2
292
1
1
82
Sebastian Wouters
2
240
1
1
84
Leticia Gonzalez
1
145
5
5
84
Sebastian Mai
1
145
4
4
84
Markus Oppel
1
145
1
1
84
Garnet Chan
2
157
2
4
84
Sheng Guo
1
145
1
2
84
Philipp Marquetand
1
145
3
3
84
Felix Plasser
1
145
4
2
84
Weifeng Hu
1
145
1
1
92
David L Mobley
3
236
1
1
92
Caitlin C Bannan
1
137
1
1
94
Jean-Philip Piquemal
1
136
2
1
94
Stefano Caprasecca
1
136
1
1
94
Benedetta Mennucci
2
164
2
1
94
Filippo Lipparini
2
155
1
1
94
Daniele Loco
1
136
1
1
94
Louis Lagardère
1
136
2
1
100
John D Chodera
1
133
1
1
106
Giovanni Bussi
3
273
1
1
106
Sandro Bottaro
2
179
1
1
111
Jean-Luc E Bredas
3
206
3
2
117
Walter Thiel
5
325
2
2
117
Wenjian Liu
3
179
1
1
117
Pavlo O Dral
2
197
1
1
117
Xin Wu
2
197
1
1
122
Toon Verstraelen
3
248
1
2
122
Farnaz Heidar-Zadeh
2
157
1
1
122
Paul Ayers
2
157
4
2
142
Michiel Jan van Setten
2
209
1
3
150
Thomas B Pedersen
2
141
1
2
150
Dimitrios A Pantazis
2
206
1
1
157
A Eugene Deprince, Iii
2
188
1
1
162
Amber Jain
2
122
1
2
162
Joseph E Subotnik
2
122
2
4
167
Anastassia N Alexandrova
2
153
2
1
181
Amir Karton
3
135
1
3
184
Jan Wilhelm
2
158
1
1
184
Toru Shiozaki
2
120
1
1
184
Juerg Hutter
3
181
1
1
184
Mauro Del Ben
2
158
1
1
189
Todd J Martinez
3
173
2
3
189
Shunyang Wang
3
164
1
1
192
Weitao Yang
3
127
1
3
192
Lin Shen
2
112
1
1
192
Alejandro Gil-Ley
2
148
1
1
201
Alexey Akimov
2
129
1
2
201
Alexey V Akimov
2
129
1
2
211
Grigory Kolesov
2
146
1
1
211
Efthimios Kaxiras
3
220
2
5
217
János Ángyán
2
121
2
1
217
Tomas Bucko
2
166
1
1
217
Timothy Gould
2
166
1
1
222
Christopher N Rowley
2
130
1
2
226
Lorenzo Maschio
3
135
1
1
226
Bartolomeo Civalleri
2
116
1
1
241
Alston J Misquitta
2
122
1
2
241
Yuezhi Mao
2
135
2
3
241
Anthony J Stone
2
122
1
1
241
Teresa Head-Gordon
2
98
2
3
241
Omar Demerdash
2
98
1
1
251
D Peter Tieleman
2
89
2
2
251
YIhan Shao
2
120
1
2
251
Bernard R Brooks
3
162
1
1
251
Ye Mei
2
120
1
1
251
John Z H Zhang
3
109
1
3
251
Gerhard König
3
162
1
1
264
Gerrit Groenhof
2
120
1
2
267
John M Herbert
5
206
1
1
267
Maria Belen Oviedo
2
114
1
1
267
Bryan M Wong
2
114
2
2
271
Peter Schreiner
2
80
3
2
271
Troy Van Voorhis
2
84
1
3
282
Mihaly Kallay
2
81
1
1
293
C David Sherrill
2
125
1
2
293
Ryan M Richard
2
125
1
1
293
J V Ortiz
2
125
1
1
296
Klaus R. Liedl
2
91
1
2
296
Gerhard Stock
2
91
1
1
307
Manuel F Ruiz-López
2
112
1
1
307
Alessandro Genoni
2
112
1
1
320
Alessio Valentini
2
104
1
2
320
Xuchun Yang
2
104
1
1
320
Nicolas Ferré
3
116
1
2
320
Hoi Ling Luk
2
104
1
1
320
Massimo Olivucci
2
104
1
2
333
Giacomo Prampolini
3
135
2
1
333
Joost VandeVondele
2
84
1
1
333
Fabrizio Santoro
2
100
2
3
333
Javier Cerezo
2
100
2
1
348
Frederick R Manby
2
73
1
1
359
Vicenzo Barone
6
174
2
1
359
Denis Jacquemin
4
164
3
3
373
Laura Gagliardi
2
99
4
5
373
Stephan Irle
2
66
1
3
384
Susi Lehtola
2
83
1
1
384
Hannes Jónsson
2
83
3
2
384
Gregory A Voth
3
135
2
4
409
Francesc Illas Riera
4
137
1
3
425
Ting-Jun Hou
2
92
2
5
425
Xiaosong Li
4
122
1
2
425
Dan Li
2
92
1
2
425
Joshua J Goings
2
69
1
2
425
Ali A Hassanali
2
102
1
3
425
Franco Egidi
2
64
1
2
444
Leo Radom
2
66
1
2
444
Francesc Viñes
2
70
1
4
444
Bun Chan
2
66
1
2
444
David J Wales
4
100
1
3
452
Jochen Autschbach
4
139
1
2
463
Eric Neuscamman
4
104
1
1
463
Luning Zhao
3
75
1
1
476
Guo-Hui Li
3
99
1
3
476
Maytal Caspary Toroker
2
62
2
2
493
Denis Andrienko
2
80
1
3
493
Marcus Elstner
3
95
1
2
493
Lucas K Wagner
2
72
2
2
493
Marco Antonio Chaer Nascimento
2
67
1
1
506
Alessandro Laio
3
81
1
1
506
Alexei A Kananenka
3
114
1
1
506
Dominika Zgid
3
114
1
2
506
Tran Nguyen Lan
2
74
1
1
528
Zongtang Fang
2
75
2
1
528
Alberto Otero de la Roza
2
67
2
1
528
David A Dixon
2
75
3
3
528
Erin Johnson
2
67
1
1
554
Jógvan Magnus Haugaard Olsen
2
68
1
2
554
Jacob Kongsted
2
68
2
2
554
Francesco A Evangelista
2
80
2
2
554
Michael R Shirts
3
79
1
2
554
Eric C Dybeck
2
66
1
1
574
Raffaello Potestio
3
85
1
2
574
Emily Ann Carter
2
44
3
7
574
Marco Garavelli
2
52
2
2
574
Davide Donadio
2
61
1
5
574
Hichem Dammak
2
69
1
1
574
Fabien Brieuc
2
69
1
1
605
Paola Gori-Giorgi
2
74
2
1
605
Alessio Petrone
2
73
1
2
605
David B Williams-Young
3
71
1
1
605
Jordan J Phillips
2
53
1
1
640
Rebecca C Wade
2
40
1
7
660
Mark S Gordon
3
61
2
2
660
Alberto Baiardi
2
46
2
3
660
Mark Gordon
2
58
1
1
660
Julien Bloino
2
46
1
4
660
Shiladitya Banerjee
2
46
1
1
686
Zhendong Li
2
56
1
2
686
Dage Matts Börje Sundholm
2
67
2
3
686
Sonia Coriani
3
59
1
1
686
Henrik Koch
2
56
1
1
686
Dage Sundholm
2
67
2
3
713
Josef Melcr
2
56
1
2
734
Martin Kaupp
3
64
2
4
755
Edoardo Aprà
3
50
1
2
755
Luca De Vico
2
59
1
2
755
Christof Hattig
2
47
1
2
755
André Anda
2
59
1
1
755
Thorsten Hansen
2
59
1
1
788
Mark E Tuckerman
2
50
1
4
809
Habiburrahman Zulfikri
2
39
1
1
809
Claudio Amovilli
2
39
1
1
809
Bernd Hartke
2
39
1
1
809
Claudia Filippi
2
39
1
2
809
Ernst-Walter Knapp
2
29
1
2
822
Julian J Kranz
2
49
1
1
841
Erik Donovan Hedegård
2
50
1
2
841
Nicholas A Besley
2
46
1
2
869
Markus Mk Kowalewski
2
30
2
5
869
S Knippenberg
2
38
1
1
869
Shaul Mukamel
2
30
2
11
869
Samuel Genheden
2
36
1
2
886
Kurt Kremer
2
44
2
3
886
Karsten Kreis
2
44
1
1
918
Paul l A Popelier
2
45
1
5
918
Wesley D Allen
2
29
1
2
918
Mathieu Linares
2
33
1
3
956
Zhaleh Ghaemi
2
26
1
1
956
Andrea Cavalli
2
38
3
5
1000
Sergei Y Noskov
3
45
1
2
1000
Edward F Valeev
2
23
2
4
1028
Zhongwei Hu
2
38
1
2
1028
Lasse Jensen
2
38
2
4
1061
Frank Jensen
2
29
1
4
1075
Giuseppe M J Barca
2
28
1
1
1075
Stefano Baroni
2
28
1
3
1075
Benjamin G Janesko
2
26
1
1
1075
Stefano Baroni
2
28
1
3
1075
Giovanni Scalmani
2
26
1
1
1075
Peter M W Gill
2
28
1
2
1102
Kenneth B Wiberg
2
25
1
1
1102
Gabriel Hanna
2
21
1
1
1169
Michele Parrinello
3
22
1
6
1169
Omar Valsson
2
16
1
4
1169
Henry F Schaefer
2
22
5
9
1218
Xin Li
2
19
2
10
1218
Patrick Norman
2
19
2
4
1218
Zilvinas Rinkevicius
2
19
1
1
1218
Hans Ågren
2
19
5
11
1291
Yuriy Sereda
2
12
1
1
1326
Matteo Barborini
2
10
1
2
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