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exaly
›
Journals
›
Journal of Chemical Theory and Computation
›
top-authors
›
articles
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 articles)
#
Author
Articles
Citations
R ARank
R CRank
1
Donald G Truhlar
9
1,284
1
1
2
Amedeo Caflisch
7
158
1
1
3
Adam Liwo
5
150
1
1
3
Roland H Lindh
5
262
1
1
3
Sason Shaik
5
224
1
2
6
Pavel Hobza
4
872
1
2
6
Vicenzo Barone
4
481
2
1
6
Jiřı́ Šponer
4
350
1
1
6
Walter Thiel
4
306
2
2
6
Leo Radom
4
192
2
2
6
Alexander D Mackerell
4
4,290
1
1
6
Jochen Autschbach
4
312
1
2
6
Bun Chan
4
192
1
1
6
Michal Otyepka
4
427
1
2
6
Leonardo Guidoni
4
186
1
1
6
Kwang S Kim
4
179
1
7
6
Jacob Kongsted
4
128
1
2
6
Modesto Orozco López
4
85
1
6
6
Philippe H Hünenberger
4
264
1
1
6
Hui Chen
4
186
1
2
6
Nico F A Van Der Vegt
4
136
1
1
23
Christof Schütte
3
203
1
1
23
Jiannian Yao
3
121
2
2
23
Weitao Yang
3
138
2
3
23
Alan E Mark
3
121
1
1
23
Daniel Roca-Sanjuán
3
95
1
2
23
Jan Řezáč
3
744
1
1
23
Chiara Cappelli
3
225
1
1
23
Luigi Delle Site
3
165
1
2
23
Amnon Kohen
3
80
1
2
23
Satoshi Maeda
3
116
1
1
23
Toon Verstraelen
3
177
1
1
23
Ulrich H E Hansmann
3
56
1
2
23
Wen-Li Zou
3
114
2
2
23
Richard A Friesner
3
415
1
1
23
Adam K Sieradzan
3
74
1
1
23
Carlo Adamo
3
610
2
1
23
Bryan M Wong
3
284
2
1
23
Patrice Malfreyt
3
182
1
1
23
Petr Jurečka
3
325
1
1
23
Roberto Dias Lins Neto
3
280
1
1
23
Denis Jacquemin
3
627
3
1
23
Wei Wu
3
90
1
2
23
Dieter Cremer
3
114
1
2
23
Debashish Mukherji
3
118
1
1
23
Andreas W Götz
3
1,845
1
1
23
Paolo Carloni
3
88
1
1
23
Dan Thomas Major
3
80
1
2
23
Markus Reiher
3
149
1
4
23
Elfi Kraka
3
114
1
3
23
Henry F Schaefer
3
28
2
7
23
Marie Zgarbova
3
325
1
1
23
Peter M W Gill
3
44
1
2
23
Kurt Kremer
3
108
1
2
23
Mark Gordon
3
167
1
3
23
Wenzhen Lai
3
165
1
3
23
Krishnan Raghavachari
3
132
1
1
23
Riccardo Chelli
3
48
1
1
23
Berend Smit
3
98
1
6
23
Michael K Gilson
3
82
1
5
23
Dvir Doron
3
80
1
1
65
Andriy Kovalenko
2
49
1
1
65
Julia E Rice
2
38
1
4
65
Leticia Gonzalez
2
63
2
9
65
D Peter Tieleman
2
116
2
2
65
Emiliano Ippoliti
2
51
1
2
65
Han Wang
2
67
1
1
65
Ivano Tavernelli
2
363
1
1
65
Michele Parrinello
2
244
3
3
65
Jean-Philip Piquemal
2
204
1
1
65
Richard L Lord
2
92
1
1
65
Ibon Alkorta
2
187
5
3
65
Mark S Gordon
2
122
1
2
65
Eduard Matito
2
75
1
1
65
H Bernhard Schlegel
2
92
1
1
65
Marco Marazzi
2
18
1
2
65
Tatiana Korona
2
35
1
1
65
Klaus Schulten
2
206
1
1
65
Alexandre Bonvin
2
38
1
4
65
Sergei Y Noskov
2
73
1
3
65
Roberto Peverati
2
338
2
3
65
Matteo Barborini
2
70
1
1
65
Marco Caricato
2
118
1
1
65
Ron Elber
2
32
2
4
65
Clemence Corminboeuf
2
191
1
1
65
Siewert-Jan Marrink
2
297
2
1
65
Petr Bouř
2
97
1
1
65
Ya-Jun Liu
2
73
1
2
65
Kenneth M Merz Jr
2
42
2
3
65
Kenneth D Jordan
2
151
1
1
65
Ove Christiansen
2
173
1
1
65
Marc Garcia-Borràs
2
96
1
1
65
Angela K Wilson
2
306
3
1
65
Ivet Bahar
2
158
1
2
65
Wolfgang Quapp
2
23
1
1
65
Michal Pitoňák
2
87
1
1
65
Ali Alavi
2
134
1
3
65
A-S Smith
2
34
1
2
65
Joost VandeVondele
2
262
1
1
65
Josep M Bofill
2
23
1
1
65
Sergio Martí
2
30
1
2
65
Michael Bühl
2
58
1
1
65
Giorgio Federico Signorini
2
22
1
1
65
Yan Zhao
2
184
1
1
65
Nicholas J Mayhall
2
106
1
1
65
Denis Andrienko
2
184
1
1
65
Michael Filatov
2
84
1
1
65
John M Herbert
2
30
1
5
65
Ursula Röthlisberger
2
363
1
1
65
Thomas E Exner
2
115
1
1
65
Oliver Carrillo
2
21
1
1
65
Gia G Maisuradze
2
76
1
1
65
Miquel Solà
2
96
3
2
65
Giulia Rossetti
2
64
1
1
65
lsabelle Navizet
2
47
1
1
65
Peng Tao
2
31
1
1
65
Stephan N Steinmann
2
191
1
1
65
Josep M Luis
2
96
1
2
65
Yirong Mo
2
74
1
1
65
Thomas Frauenheim
2
47
1
3
65
Franca Fraternali
2
20
2
5
65
Gerhard Stock
2
114
1
1
65
Michael Gilson
2
74
1
5
65
David J Wales
2
71
1
1
65
Hamutal Engel
2
45
1
1
65
Jihan Kim
2
93
1
4
65
Gregory S Tschumper
2
52
1
1
65
Chris Oostenbrink
2
223
1
1
65
Benedetta Mennucci
2
472
1
2
65
Giovanni Scalmani
2
147
1
1
65
Gustavo E Scuseria
2
143
1
2
65
Vamsee K Voora
2
151
1
1
65
Filippo Lipparini
2
179
1
1
65
Lennart Nilsson
2
789
1
1
65
Benoı̂t Roux
2
280
1
1
65
William C Swope
2
38
1
2
65
Andreas Vitalis
2
63
1
1
65
Ezequiel Pedro Marcos Leiva
2
23
1
2
65
David M Smith
2
34
1
2
65
Nicolas Ferré
2
73
1
2
65
Pengyu Ren
2
177
1
2
65
Erin Johnson
2
66
2
3
65
Assoc prof Jane R Allison
2
31
1
3
65
Heiko M Möller
2
115
1
2
65
Thereza A Soares
2
148
1
2
65
B Baumeier
2
184
1
1
65
Pritam Ganguly
2
80
1
1
65
Tsjerk A Wassenaar
2
38
1
2
65
Samer Gozem
2
180
1
1
65
Juerg Hutter
2
262
1
1
65
Iñaki Tuñón
2
30
1
1
65
Pavel Banáš
2
298
1
1
65
Piotr Piecuch
2
150
1
1
65
David van der Spoel
2
633
2
1
65
Jens Kleinjung
2
20
1
2
65
Amir Karton
2
97
1
3
65
F Javier Luque
2
62
2
3
65
Charles L Brooks
2
111
1
2
65
Maria M Reif
2
202
1
1
65
Massimo Olivucci
2
180
1
1
65
Alister J Page
2
30
1
3
65
Mikko Karttunen
2
229
1
1
65
Julia Contreras-Garcia
2
120
1
3
65
Jonathan F. Lovell
2
229
1
1
65
Christophe Chipot
2
182
1
1
65
Jose Elguero
2
187
5
2
65
Fumio Hirata
2
59
1
2
65
Song-Ho Chong
2
42
1
2
65
Wei Han
2
181
1
1
65
Christoph Junghans
2
114
1
2
65
Luis Manuel Frutos Gaite
2
18
1
2
65
Hrant P Hratchian
2
8
1
1
65
Sandro Sorella
2
70
1
3
65
Veronique Van Speybroeck
2
135
2
5
65
Celia A Schiffer
2
78
1
4
65
George H Booth
2
134
2
3
65
Paul Ayers
2
64
2
3
65
Karmen Condic-Jurkic
2
34
1
1
65
Zilvinas Rinkevicius
2
27
1
3
65
Yifei Qi
2
67
1
1
65
J Andrew Mccammon
2
468
1
1
65
Maxim V Fedorov
2
109
1
3
65
Adrian E Roitberg
2
2,982
2
1
65
Charles A Laughton
2
21
1
2
65
Monika Srebro
2
163
1
1
65
Julien Bloino
2
302
1
2
65
Ari P Seitsonen
2
363
1
2
65
Francesco Aquilante
2
165
1
2
65
Frank Neese
2
71
5
11
65
Xiao Zhu
2
3,726
2
1
65
Stephan Irle
2
30
2
8
65
Troy Van Voorhis
2
164
1
2
65
Hans Ågren
2
27
1
7
65
N Arul Murugan
2
27
1
3
65
Benoit Roux
2
280
2
1
65
Adrian W Lange
2
30
1
1
65
Lianqing Zheng
2
161
1
1
203
Christopher Cramer
1
661
3
1
203
Sebastian Mai
1
375
1
1
203
Yu-Shan Lin
1
347
2
1
203
Jason D Goodpaster
1
299
1
1
203
Leeor Kronik
1
765
3
1
203
Dong Xu
1
1,633
1
1
203
Michiel Sprik
1
352
2
1
203
Rhiju Das
1
347
2
1
203
Frederick R Manby
1
299
2
2
203
Jochen Hub
1
609
1
1
203
Roi Baer
1
765
2
1
203
Holger Gohlke
1
2,891
4
1
203
Woody Sherman
1
239
3
2
203
Edward D Harder
1
239
1
1
203
Giovanni Bussi
1
220
1
1
203
Michael Feig
1
3,696
2
1
203
Gerd B Rocha
1
222
1
1
203
Christopher N Rowley
1
191
1
1
203
Thomas F Miller Iii
1
299
1
1
203
David S Sholl
1
282
5
5
203
Jaroslav Koca
1
231
3
1
203
Marie-Pierre Gaigeot
1
352
4
1
203
George A Petersson
1
463
1
1
203
Benjamin E Van Kuiken
1
192
1
1
203
Shirley W I Siu
1
474
1
1
203
William L Jorgensen
1
232
2
2
203
Thomas A Manz
1
282
1
1
203
Michael E Foster
1
203
1
1
203
Sidney Ramos Santana
1
222
1
1
203
Martina Stella
1
299
1
1
203
Mark J Williamson
1
1,633
1
1
203
Petr Stadlbauer
1
231
1
1
203
Hans Lischka
1
375
4
2
203
Patric Schyman
1
232
1
1
203
Paul J Van Maaren
1
609
1
1
203
Malgorzata Biczysko
1
256
2
1
203
Sivan Refaely-Abramson
1
765
1
1
203
Pedro E. M. Lopes
1
3,696
1
1
203
Kristyna Pluhackova
1
474
1
1
203
Marialore Sulpizi
1
352
2
1
203
Robert B Best
1
3,696
2
1
203
Kenneth Lopata
1
192
1
1
203
Rainer Arnold Böckmann
1
474
1
1
203
Alexander P Lyubartsev
1
408
1
2
203
Alessandra Villa
1
325
1
1
203
Gabriel Urquiza-Carvalho
1
222
1
1
203
Jeetain Mittal
1
3,696
2
1
203
Miroslav Krepl
1
231
1
1
203
Luciano T Costa
1
609
1
1
203
Aleksandr V Marenich
1
661
1
1
203
Thomas E Cheatham
1
231
1
1
203
Nathan DeYonker
1
237
2
2
203
John D Chodera
1
222
1
1
203
Julio Daniel Carvalho Maia
1
222
1
1
203
Felix Plasser
1
375
1
1
203
Carl Caleman
1
609
2
2
203
Kevin E Riley
1
264
1
1
203
Tamar Stein
1
765
1
1
203
Niranjan Govind
1
192
3
2
203
Oded Hod
1
256
2
1
203
Christopher M Baker
1
464
1
1
203
Kyle Throssell
1
463
1
1
203
Edward Harder
1
239
1
1
203
Davide Branduardi
1
220
1
1
203
N Goga
1
243
1
1
203
Wolfgang Damm
1
239
1
1
203
Scott Le Grand
1
1,633
1
1
203
Pedro E M Lopes
1
3,696
1
1
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