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 citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Daniel R Roe	2	5,347	1	1
2	Thomas E Cheatham	2	5,215	2	1
3	Andreas W Götz	1	2,598	1	1
3	Scott Le Grand	1	2,598	1	1
5	Siewert-Jan Marrink	3	1,414	1	1
6	Benoı̂t Roux	7	1,310	1	1
6	Benoit Roux	7	1,310	1	1
8	D Peter Tieleman	3	1,256	2	1
9	Xavier Periole	2	1,248	1	1
11	Tsjerk A Wassenaar	1	1,181	1	1
11	Lars V Schäfer	1	1,181	1	1
11	Clément Arnarez	1	1,181	1	1
14	Michael R Shirts	4	961	1	2
15	Gerald Knizia	2	921	1	1
16	Pavel Hobza	8	868	1	1
17	Benedetta Mennucci	5	834	1	1
18	Marcus Elstner	2	797	1	1
18	Michael Gaus	2	797	1	1
20	Carlo Adamo	5	767	1	2
21	Donald G Truhlar	13	757	1	1
22	Jan Řezáč	5	754	1	1
23	Shunyang Wang	2	747	1	1
24	Vicenzo Barone	10	741	1	1
26	Robert B Best	5	713	1	1
27	Kenneth M Merz Jr	6	703	1	1
28	Michal Otyepka	6	627	1	1
29	Peter Eastman	2	622	1	1
30	Vijay S Pande	4	608	1	1
31	Alexandre Tkatchenko	3	594	1	2
32	Oleg Prezhdo	1	588	5	1
32	Alexey V Akimov	1	588	2	1
34	Kyle A Beauchamp	1	583	1	1
34	John D Chodera	1	583	1	1
34	Diwakar Shukla	1	583	1	1
34	Joy P Ku	1	583	1	1
34	Christopher M Bruns	1	583	1	1
34	Christoph Klein	1	583	1	1
40	Pengfei Li	1	559	1	1
40	Dhruva K Chakravorty	1	559	1	1
42	Francesco Paesani	3	553	1	1
43	Christophe Chipot	3	550	1	1
44	Jeng-Da Chai	1	535	1	1
44	Guan-De Li	1	535	1	1
46	Jay W Ponder	1	524	1	1
46	Chuanjie Wu	1	524	1	1
46	Pengyu Ren	1	524	3	1
46	Volodymyr Babin	2	524	1	1
46	Yue Shi	1	524	1	1
51	Joseph R Lane	2	511	1	1
52	Ciro Achille Guido	3	508	1	1
53	Grégoire Montavon	1	499	1	1
53	O Anatole Von Lilienfeld	1	499	1	1
53	Matthias Scheffler	1	499	5	1
53	Matthias S Rupp	1	499	1	1
53	Klaus-Robert Müller	1	499	3	1
53	Siamac Fazli	1	499	1	1
60	James C Gumbart	2	486	1	1
61	Sebastian Ehlert	3	474	1	1
62	Jean-Philip Piquemal	3	470	1	1
63	Denis Jacquemin	4	469	2	3
64	Ciro A Guido	2	458	1	1
65	Stefan Grimme	2	453	3	2
66	Emil Alexov	1	446	3	1
66	Lin Li	1	446	1	1
66	Zhe Zhang	1	446	2	1
69	Jan M L Martin	1	435	3	1
69	Sebastian Kozuch	1	435	2	1
71	Jiřı́ Šponer	3	417	1	1
72	Henrik G Kjaergaard	1	414	3	2
72	Julia Contreras-Garcia	1	414	1	1
74	Cheng Shang	3	408	1	1
74	Zhi-Pan Liu	3	408	1	1
76	Carlos L Simmerling	1	387	1	1
76	Hai Nguyen	1	387	1	1
78	Julien Bloino	2	386	1	1
79	Giacomo Prampolini	6	384	1	1
80	Todd J Martinez	2	360	3	2
81	Petr Jurečka	2	343	1	2
82	Pietro Cortona	1	335	1	1
82	Fabrizio Santoro	4	335	1	1
84	Alexander D Mackerell	1	329	6	2
84	Jing Huang	1	329	1	2
84	Pedro E. M. Lopes	1	329	2	1
84	Yun Luo	1	329	1	1
84	Pedro E M Lopes	1	329	2	1
90	Azzam Charaf-Eddin	2	317	1	1
91	Nathan Luehr	1	316	1	1
91	Ivan S Ufimtsev	1	316	1	1
91	Francisco José Avila Ferrer	3	316	1	1
94	Alberto Baiardi	1	314	1	1
95	Chihaya Adachi	1	312	10	7
95	Tetsuya Nakagawa	1	312	2	3
95	Qisheng Zhang	1	312	1	2
95	Kazunari Yoshizawa	1	312	2	1
95	Yoshihito Shiota	1	312	2	1
95	Shu-Ping Huang	1	312	1	1
102	Joseph E Basconi	1	303	1	1
103	Alexander P Lyubartsev	2	291	1	1
103	Paul Ayers	3	291	3	1
105	Michal Pitoňák	2	282	1	1
106	Frank Neese	3	277	4	7
107	Robert Sedlak	1	275	1	1
107	Peter Pulay	1	275	1	1
109	Roberto Improta	2	272	2	1
110	Florian Weigend	2	269	1	1
111	Christopher Cramer	3	260	1	2
112	Javier Cerezo	2	256	1	1
113	F Javier Luque	1	255	2	1
113	Marie Zgarbova	1	255	1	1
115	Gregory A Voth	4	254	2	2
116	Samer Gozem	3	244	1	1
116	Massimo Olivucci	3	244	1	1
118	Stefano Corni	2	243	2	1
124	Patrick Bultinck	4	233	1	1
125	Aleksandr V Marenich	2	229	1	1
126	Jochen Autschbach	4	227	1	1
127	Jacob Kongsted	4	216	1	1
127	Thomas Heine	2	216	4	7
131	Michael Feig	3	215	1	1
132	Paul Andrew Johnson	2	214	1	1
134	Woody Sherman	2	213	2	4
134	Francesc Illas Riera	2	213	3	2
137	J Andrew Mccammon	5	207	1	2
138	Juerg Hutter	3	206	1	1
141	Ulf Ryde	4	205	1	1
141	Filippo Lipparini	3	205	1	1
143	Claudia Filippi	3	203	1	1
144	Igor Schapiro	2	202	1	1
145	Robin Chaudret	2	198	1	1
149	C David Sherrill	2	193	2	2
149	A Eugene Deprince, Iii	2	193	1	1
151	Roland H Lindh	4	188	1	1
152	Adrian H Elcock	4	185	1	1
153	Chiara Cappelli	3	184	1	1
162	Frantisek Karlicky	2	181	1	3
162	Pritam Ganguly	2	181	1	2
162	Nico F A Van Der Vegt	2	181	1	3
170	Modesto Orozco López	3	176	2	1
171	Stefan Knecht	2	175	1	1
172	Omar Valsson	3	167	1	1
172	Jingjing Zheng	2	167	1	1
179	Michele Parrinello	3	164	2	4
182	Kwang S Kim	3	162	1	5
183	György Vankó	2	160	1	1
183	Mátyás I Pápai	2	160	1	1
185	Yuki Kurashige	2	159	1	2
186	Pär Söderhjelm	2	155	1	1
186	Gregory R Medders	2	155	1	1
188	Michael Filatov	2	154	1	1
189	Anna I Krylov	2	153	1	4
189	Sason Shaik	2	153	1	5
191	Narbe Mardirossian	2	152	1	1
191	Martin Head-Gordon	2	152	2	4
193	Laura Gagliardi	3	151	2	2
193	J Samuel Arey	2	151	1	1
199	Gareth A Tribello	2	148	1	1
200	Matúš Dubecký	3	146	1	1
201	Kenneth Ruud	3	143	1	1
202	Joost VandeVondele	2	141	1	1
206	Bun Chan	3	132	1	1
207	Brian K Radak	2	131	1	1
207	Darrin M York	2	131	1	1
210	Ursula Röthlisberger	3	129	1	3
210	Yifei Qi	3	129	1	1
212	Carolin König	2	128	1	1
212	Johannes Neugebauer	2	128	1	1
214	François Gygi	2	127	1	1
220	Satoshi Maeda	3	124	1	3
221	Thomas Frauenheim	3	123	2	5
222	Jean Jules Fifen	2	122	1	1
222	Francesco Aquilante	2	122	1	1
225	Gerd B Rocha	2	118	1	1
225	Nicolas Ferré	2	118	1	1
227	Tong Zhu	2	117	1	1
227	Chris Oostenbrink	2	117	1	1
227	John Z H Zhang	2	117	1	1
234	Radek Marek	2	112	1	1
240	Bálint Aradi	2	111	1	1
240	Markus Meuwly	4	111	1	1
243	Andrea Cavalli	2	109	1	2
244	Andreas Heßelmann	3	108	1	1
250	Ivano Tavernelli	2	105	1	4
250	Pablo Campomanes	2	105	1	1
250	Hui Chen	2	105	1	2
254	Mark S Gordon	2	104	1	2
254	Matteo Dal Peraro	3	104	1	3
254	Mark Gordon	2	104	1	2
258	Susanna Monti	2	102	2	2
258	Celestino Angeli	2	102	1	1
263	Hubertus Jj Van Dam	3	101	1	1
264	Angela K Wilson	2	100	1	1
264	Sergio F Sousa	2	100	1	2
264	Maria J. Ramos	2	100	1	2
264	Pedro Alexandrino Fernandes	2	100	1	2
268	Irina Moreira	2	99	1	1
271	Walter Thiel	3	98	3	7
277	Niranjan Govind	2	97	1	1
280	Ke R Yang	2	96	1	3
286	Ilaria Ciofini	2	94	2	3
287	Giovanni Scalmani	2	91	1	1
289	Juan C Sancho García	2	90	1	2
300	Paolo Carloni	4	86	1	2
302	Xiao He	2	85	1	2
318	Christian Kramer	2	84	1	3
321	Henry F Schaefer	2	83	4	2
327	Daniel Roca-Sanjuán	2	80	1	1
327	Christopher R Iacovella	2	80	1	1
330	Steffen Lindert	2	78	1	3
337	Xiao Cheng Zeng	3	77	2	6
355	Masahiro Ehara	2	74	2	1
355	Martin Dracinsky	2	74	1	2
355	Toshifumi Mori	2	74	1	1
355	Ryoichi Fukuda	2	74	1	1
365	Miho Isegawa	2	72	1	1
365	Em Prof Paul Geerlings	2	72	1	1
376	Arianna Fornili	2	71	1	1
376	Leonardo Guidoni	2	71	1	3
376	Franca Fraternali	2	71	2	2
386	Sergei V Krivov	2	70	1	1
393	Giulia Palermo	2	69	1	1
393	Marco De Vivo	2	69	1	1
437	Bobby G Sumpter	2	64	4	5
437	Carole A Morrison	2	64	1	3
455	Uğur Bozkaya	2	61	2	2
455	Emine Soydas	2	61	1	1
459	David J Tozer	2	60	1	2
467	Juan Fernandez-Recio	3	58	1	5
467	Petr Lazar	2	58	1	3
469	Wesley D Allen	2	57	1	2
481	Brian Space	2	55	2	5
481	Keith Mclaughlin	2	55	1	2
481	Christian R Cioce	2	55	1	2
506	Bernd Engels	2	52	1	3
514	Jens Kleinjung	2	51	1	1
542	Adam Liwo	2	48	1	3
542	Harold A Scheraga	2	48	1	2
542	Adrian E Roitberg	2	48	1	3
563	Joel Bowman	2	47	3	4
581	Guillaume Lamoureux	2	45	1	1
581	Richard A Friesner	2	45	1	2
581	Esam A Orabi	2	45	1	1
608	Kenji Yasuoka	2	43	1	4
616	Ivo Cacelli	2	42	1	2
616	Alessandro Ferretti	2	42	1	1
650	Lanyuan Lu	2	40	1	2
653	Joachim Dzubiella	2	39	1	4
653	Bo Li	2	39	1	1
653	Hans Ågren	2	39	1	6
666	Riccardo Baron	2	38	1	4
697	Leeor Kronik	2	36	2	7
697	Josep M Luis	2	36	2	5
709	Maciej Haranczyk	2	35	1	7
733	Benjamin G Janesko	2	33	1	2
733	Jean-Paul Malrieu	2	33	1	1
760	Ivan Stich	2	31	1	1
833	Johannes Kästner	2	27	1	3
851	Ignacio Fdez Galván	2	26	1	1
851	Manuel A Aguilar	2	26	1	1
851	María Elena Martín Navarro	2	26	1	1
851	Aurora Muñoz Losa	2	26	1	2
916	Kim Baldridge	2	22	1	4
920	Zhixiong Lin	2	21	2	2
967	Carles Pons	2	17	1	4

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Journal of Chemical Theory and Computation

Top Authors (by citations)