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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
Woody Sherman
1
1,360
2
1
1
Yujie Wu
1
1,360
1
1
1
Wolfgang Damm
1
1,360
1
1
4
Jochen Hub
1
1,284
1
1
4
David van der Spoel
1
1,284
2
1
4
Bert L De Groot
1
1,284
3
1
7
Yan Zhao
4
1,619
1
1
7
Donald G Truhlar
11
2,085
1
1
7
Jingjing Zheng
1
1,183
2
1
10
Michel A Cuendet
1
866
1
1
10
Erik R Lindahl
1
866
1
1
10
Pär Bjelkmar
1
866
2
1
10
Berk Hess
1
866
1
1
14
Joost VandeVondele
1
438
3
1
14
Juerg Hutter
1
438
1
1
16
Guillaume Lamoureux
1
401
1
1
16
Alexander D Mackerell
2
532
2
3
16
Hai-Bo Yu
1
401
3
1
16
Troy W Whitfield
1
401
1
1
16
Igor V Vorobyov
1
401
2
3
16
Benoı̂t Roux
3
743
2
1
16
Benoit Roux
3
743
3
1
16
Edward Harder
1
401
1
1
26
Sebastian Ehlert
1
389
2
3
26
Stefan Grimme
1
389
3
3
26
Lars Goerigk
1
389
1
2
29
Carlo Adamo
2
577
3
1
29
Denis Jacquemin
2
577
2
1
29
Rosendo Valero
1
383
1
1
29
Ilaria Ciofini
2
577
2
1
33
Yue Yang
1
378
1
1
33
Kenneth M Merz Jr
5
706
1
1
35
Michael L Klein
3
432
1
1
35
Giacomo Fiorin
1
366
1
1
35
Christophe Chipot
1
366
1
2
35
Jérôme Hénin
1
366
1
1
39
David S Sholl
1
365
1
2
39
Thomas A Manz
1
365
1
1
41
Jiřı́ Šponer
5
465
2
1
41
Michal Otyepka
3
464
1
1
41
Petr Jurečka
1
339
1
1
41
Pavel Banáš
2
447
1
1
41
Modesto Orozco López
3
464
1
1
41
Thomas E Cheatham
2
383
1
1
41
Marie Zgarbova
1
339
1
1
41
Daniel Hollas
1
339
1
1
49
Steven E Wheeler
1
332
2
1
50
Jógvan Magnus Haugaard Olsen
2
359
1
1
50
Jacob Kongsted
5
487
1
1
50
Kęstutis Aidas
2
359
1
1
53
Alan E Mark
2
279
1
2
53
David Poger
2
279
1
2
55
Vicenzo Barone
4
699
2
1
55
Giovanni Scalmani
2
326
1
2
55
Malgorzata Biczysko
3
647
1
1
55
Julien Bloino
2
527
2
1
60
Fabrizio Santoro
1
253
3
1
61
Pavel Hobza
4
684
2
2
61
Jan Řezáč
3
534
1
1
61
Joel Bowman
1
249
3
1
61
Michal Pitoňák
4
805
1
2
61
Martin Korth
2
462
1
1
66
Bryan M Wong
1
248
2
1
67
Andriy Kovalenko
1
232
2
1
67
Tyler Luchko
1
232
1
1
67
Jack A Tuszynski
1
232
4
1
67
Carlos L Simmerling
1
232
1
1
67
Sergey Gusarov
1
232
2
1
67
David A Case
3
302
1
2
74
Frank Neese
2
277
4
4
75
Wei Jiang
1
211
1
1
76
Gregory Bowman
1
208
1
3
78
Piotr Setny
1
205
1
2
78
Riccardo Baron
1
205
1
2
78
J Andrew Mccammon
2
254
2
2
81
Marco Caricato
2
218
2
1
81
Kenneth B Wiberg
1
202
1
1
83
Michele Parrinello
1
199
5
5
83
Giovanni Bussi
1
199
1
1
83
Michele Ceriotti
1
199
2
2
86
Per E M Siegbahn
1
185
1
2
86
Shi-Lu Chen
1
185
1
1
86
Margareta R A Blomberg
1
185
1
2
89
Michelle Coote
2
224
3
3
90
Jun Cheng
1
179
1
1
90
Michiel Sprik
1
179
1
1
92
Bálint Aradi
1
177
1
1
92
Thomas Frauenheim
1
177
4
2
92
Grygoriy A Dolgonos
1
177
1
1
95
Walter Thiel
2
223
2
4
95
Jiří Černý
1
175
1
1
95
Kevin E Riley
1
175
1
3
98
Radovan Bast
1
174
1
1
98
Lucas Visscher
1
174
2
2
98
Kenneth Ruud
2
202
2
1
98
Andreas J Thorvaldsen
1
174
1
1
113
İlyas Yildirim
3
218
1
1
113
Douglas H Turner
2
201
2
2
126
Jean-Philip Piquemal
3
272
1
1
126
Philippe H Hünenberger
4
217
1
1
137
Adam Liwo
2
178
2
1
143
Sergio Pantano
2
238
1
1
143
Pablo D Dans
2
238
1
1
143
Matías Rodrigo Machado
2
238
1
1
143
Matias R Machado
2
238
1
1
155
Ferran Feixas
2
199
1
1
155
Eduard Matito
5
303
1
1
155
Miquel Solà
4
313
1
1
162
Gregory A Voth
5
241
2
2
162
Sergei Izvekov
2
148
1
1
169
Jakub Kaminsky
2
116
1
1
173
Anna I Krylov
3
165
3
3
173
Petr Bouř
3
119
1
1
173
Alexander V Nemukhin
4
201
1
1
173
Bella L Grigorenko
2
144
1
1
173
Adrian E Roitberg
2
202
1
1
181
Frank Jensen
2
170
1
1
182
William Tiznado
2
147
1
1
188
Mark S Gordon
2
145
1
2
199
C David Sherrill
2
103
2
2
204
Jun Wang
2
117
1
1
204
Ray Luo
2
117
1
1
204
Wei Han
2
140
1
1
204
Yun-Dong Wu
2
140
1
1
210
Maria J. Ramos
4
201
1
1
210
Pedro Alexandrino Fernandes
3
165
1
1
210
Pedro A Fernandes
2
157
1
1
218
Gábor I Csonka
2
163
1
1
218
John P Perdew
2
163
1
1
218
Adrienn Ruzsinszky
2
163
1
1
223
Jose Oscar Carlos Jimenez-Halla
3
209
1
1
237
Guglielmo Monaco
2
144
1
1
237
Stefano Pelloni
2
144
1
1
237
Paolo Lazzeretti
2
144
1
1
237
Riccardo Zanasi
2
144
1
1
246
Pär Söderhjelm
2
107
1
1
246
Ulf Ryde
3
145
1
4
246
William L Jorgensen
2
112
3
4
246
Jorge Barroso
2
125
1
2
268
Benedetta Mennucci
2
112
3
5
272
Coen de Graaf
3
129
1
1
272
Rémi Maurice
2
127
1
1
286
Henry F Schaefer
5
115
2
3
290
Ove Christiansen
3
129
1
1
290
Daniele Toffoli
2
108
1
1
290
Mikkel Bo Hansen
2
108
1
1
290
Manuel Sparta
2
108
1
1
298
Antonio Fernandez Ramos
2
80
1
1
298
Ruben Meana-Paneda
2
80
1
1
302
Sason Shaik
2
80
2
7
315
Jochen Autschbach
2
109
1
4
328
Michael K Gilson
2
72
1
2
340
Kwang S Kim
2
79
2
7
348
B J Berne
2
88
1
2
351
Paolo Carloni
3
105
1
2
355
Art D Bochevarov
2
63
1
1
356
Christopher Cramer
2
98
1
4
378
Michele Cascella
2
61
1
1
387
David H Mathews
2
63
1
6
387
Petr Kulhanek
2
63
1
1
387
Kamila Réblová
2
63
1
2
408
H Bernhard Schlegel
2
67
1
1
408
H Georg Schreckenbach
2
60
2
3
442
Samuel Genheden
2
64
1
4
459
Russo Nino
3
73
1
3
462
Alexander R J Silalahi
2
47
1
1
462
Marcia O Fenley
2
47
1
1
469
Paul Ayers
2
56
2
4
475
Daniel M Zuckerman
2
64
1
2
475
Marcel Swart
2
43
1
4
483
Alessandra Magistrato
2
49
1
2
498
Traian Sulea
2
45
1
1
498
Christopher R Corbeil
2
45
1
1
516
Alessandro Cembran
4
75
1
2
516
Jiali Gao
3
71
1
1
523
Yirong Mo
2
44
1
3
566
António J C Varandas
2
41
3
3
566
Luís Pedro Viegas
2
41
1
1
592
Nicholas J Mayhall
2
32
1
2
592
Krishnan Raghavachari
2
32
1
1
678
Kim Baldridge
2
12
1
8
678
Roberto Peverati
2
12
1
1
715
Andrew C Simmonett
2
5
1
5
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