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	Carlos L Simmerling	3	7,456	1	1
2	Kevin E Hauser	1	7,322	1	1
2	Lauren Wickstrom	1	7,322	1	1
4	Siewert-Jan Marrink	6	1,780	1	1
5	Helgi I Ingólfsson	4	1,662	1	1
6	D Peter Tieleman	4	1,213	2	1
7	Frank Noé	4	1,128	1	1
8	Tsjerk A Wassenaar	2	941	1	1
8	Rainer Arnold Böckmann	2	941	1	1
10	Frank Neese	4	912	3	1
11	Adrian E Roitberg	1	896	1	1
11	Scott Le Grand	1	896	1	1
13	Fabian Paul	1	876	1	1
13	Guillermo Pérez-Hernández	1	876	1	1
13	Christoph Wehmeyer	1	876	1	1
13	Moritz Hoffmann	1	876	1	1
13	Jan-Hendrik Prinz	1	876	1	1
18	Dimitrios G Liakos	3	849	1	1
19	O Anatole Von Lilienfeld	3	756	1	1
20	Pavlo O Dral	2	665	1	1
21	William L Jorgensen	3	663	1	2
22	Julian Tirado-Rives	1	611	1	1
22	Michael Joseph Robertson	1	611	1	1
24	J Andrew Mccammon	2	598	1	1
25	Matthias S Rupp	1	579	2	2
25	Raghunathan Ramakrishnan	1	579	3	2
29	Jan M L Martin	1	544	1	1
29	Manoj Kumar Kesharwani	1	544	1	1
29	Yinglong Miao	1	544	2	1
29	Manuel Sparta	1	544	1	1
33	Jiřı́ Šponer	3	542	2	1
34	Michal Otyepka	3	519	2	1
35	Thomas E Cheatham	2	518	1	1
36	Denis Jacquemin	4	510	1	1
37	Jaakko J Uusitalo	2	475	1	1
38	Vicenzo Barone	9	448	1	1
40	Haitao Sun	2	437	1	1
42	Jeffrey B Neaton	3	433	1	2
43	Wonpil Im	3	417	1	1
44	Yifei Qi	2	399	3	1
45	Kenneth M Merz Jr	4	395	1	1
46	Rodrigo Galindo-Murillo	1	392	1	1
46	Marcus Elstner	5	392	1	1
46	Petr Jurečka	1	392	2	1
46	Marie Zgarbova	1	392	2	1
50	Jan Řezáč	4	384	1	1
51	Xavier Blase	2	380	1	1
51	Ivan Duchemin	2	380	1	1
53	Sarah Rauscher	1	368	1	1
53	Markus Zweckstetter	1	368	4	2
53	Helmut Grubmüller	1	368	2	1
53	Vytautas Gapsys	1	368	1	1
53	Bert L De Groot	1	368	3	2
58	Jean-Luc E Bredas	1	362	5	1
60	Donald G Truhlar	6	360	1	2
61	Pengfei Li	2	353	1	1
62	Lin Lin	2	352	1	1
63	Ferdinand Evers	3	344	1	1
64	Florian Weigend	3	343	1	1
64	Sahar Sharifzadeh	2	343	1	1
66	Jumin Lee	1	340	1	1
68	Benedetta Mennucci	7	339	1	1
69	Massimiliano Bonomi	3	336	1	1
70	Lin Frank Song	1	334	1	1
71	Niranjan Govind	5	327	1	1
72	Michiel Jan van Setten	2	322	1	1
73	Chao Yang	2	315	1	1
74	Sebastian Ehlert	3	312	1	3
74	Stefan Grimme	3	312	1	2
76	Fabio Caruso	1	280	2	1
76	Matthias Scheffler	1	280	4	2
76	Tomáš Kubař	2	280	1	1
76	Xinguo Ren	1	280	3	1
76	Patrick Rinke	1	280	2	1
76	Johannes Lischner	1	280	2	1
76	Steven G Louie	1	280	4	5
83	Cristian Moya	1	274	1	1
83	Andreas Klamt	1	274	1	2
83	José Palomar	1	274	1	1
86	Maximilian Kubillus	2	269	1	1
87	Laura Gagliardi	5	261	2	4
88	Michael Gaus	2	257	1	1
89	Marco Govoni	1	255	1	1
89	Giulia Galli	1	255	1	1
91	Edward J Maginn	1	249	3	1
92	Pavel Hobza	5	237	1	1
93	Manuel N Melo	1	236	1	1
93	Xavier Periole	1	236	1	1
93	Alex H De Vries	1	236	1	1
93	Louis Lagardère	4	236	1	1
93	Marcelo F Masman	1	236	1	1
93	Clément Arnarez	1	236	1	1
99	Frank Jensen	1	235	1	2
100	Cecilia Clementi	2	227	1	1
101	Carolina Cragnell	1	217	1	1
101	João Henriques	1	217	1	1
101	Pengyu Ren	4	217	1	1
101	Marie Skepö	1	217	1	1
105	Tristan Bereau	2	208	1	1
106	David Baker	1	204	8	7
106	Philip Bradley	1	204	1	2
106	Matthew J O'meara	1	204	1	1
106	Jack Scott Snoeyink	1	204	1	1
106	Amelie Stein	1	204	1	1
106	Frank DiMaio	1	204	4	4
106	Tanja Kortemme	1	204	1	1
106	Michael D Tyka	1	204	1	1
106	Andrew Leaver-Fay	1	204	1	1
106	Brian Kuhlman	1	204	2	3
116	Eberhard K U Gross	3	197	2	1
117	Juan C Sancho García	4	195	1	1
118	Julien Bloino	3	193	1	1
119	David van der Spoel	3	192	1	1
120	Jean-Philip Piquemal	3	191	1	1
121	Massimo Olivucci	3	190	1	1
122	Erik R Lindahl	3	189	1	3
124	Hans-Joachim Werner	2	185	2	1
125	Todd J Martinez	3	184	2	2
142	Benoı̂t Roux	5	176	1	2
142	Benoit Roux	5	176	1	2
144	Rebecca K Carlson	3	173	2	2
145	Carles Curutchet	4	171	1	1
145	Martin Head-Gordon	4	171	2	4
147	Xiaosong Li	2	170	2	1
147	Emanuele Penocchio	2	170	1	1
147	Patrick J Lestrange	2	170	1	1
150	Christopher Cramer	2	168	2	5
151	Sergio Pantano	2	167	1	1
151	Matías Rodrigo Machado	2	167	1	1
157	Samer Gozem	2	165	1	1
158	Peter V Coveney	2	157	1	1
164	Jacob Kongsted	4	150	1	2
165	Ken A Dill	2	145	3	2
166	Kenneth Ruud	4	144	1	2
167	Giacomo Prampolini	3	143	1	1
167	Filippo Lipparini	3	143	1	1
167	Benjamin Stamm	3	143	1	1
170	Bryan M Wong	2	142	1	1
171	Michael Grabe	2	141	1	1
172	Camille Latouche	3	140	1	1
175	Nathan Luehr	2	137	2	2
176	Kenneth Lopata	2	136	1	1
176	Martin Kaupp	3	136	1	1
178	Adrian H Elcock	4	135	1	1
182	Carlo Adamo	2	134	1	1
182	alberto Perez	2	134	1	2
182	Vijay S Pande	3	134	2	4
185	Juha Vaara	3	133	1	1
186	Michael Gilson	2	132	1	1
186	Niel M Henriksen	2	132	1	1
186	Andrew T Fenley	2	132	1	1
186	Michael K Gilson	2	132	1	1
190	Kasper Kristensen	2	127	1	1
195	Philippe Derreumaux	2	126	1	3
197	Walter Thiel	2	125	3	2
197	Marco Caricato	3	125	1	1
197	Luca Muccioli	2	125	1	1
197	Yoan Olivier	2	125	1	3
197	Mónica Moral	2	125	1	1
202	Christian Ochsenfeld	3	124	1	4
202	Andreas Hansen	2	124	1	3
204	Hilke Bahmann	2	123	1	1
204	Dimitrios Skouteris	2	123	1	1
215	Jiří Mareš	2	121	1	1
215	Syed Awais Rouf	2	121	1	1
217	Jay W Ponder	2	119	1	2
217	İlyas Yildirim	2	119	1	1
217	Qiantao Wang	2	119	1	1
225	Giovanni Bussi	2	118	2	2
225	Ferruccio Palazzesi	2	118	1	1
238	Krishnan Raghavachari	3	113	1	2
246	Ya-Jun Liu	2	110	1	1
246	Giovanni Li Manni	2	110	1	1
251	Gábor I Csonka	4	108	1	1
251	Pal D Mezei	4	108	1	1
255	Jochen Autschbach	2	107	2	3
255	Matthew B Goldey	2	107	1	2
259	Daniel Gryko	2	106	5	6
264	Andrew M Teale	2	104	1	1
264	Trygve Helgaker	2	104	1	1
264	Stanislav Komorovsky	2	104	2	1
264	Michal Repisky	2	104	2	2
272	Alexander D Mackerell	4	101	2	7
272	Fabio Sterpone	2	101	2	3
275	Gerhard Stock	2	99	2	2
280	Michael J Schnieders	2	98	1	1
282	Michele Parrinello	4	97	1	3
282	Hui Chen	2	97	2	3
282	Thomas Heine	2	97	3	11
287	Gregory A Voth	3	93	2	6
296	Patrick Ettenhuber	2	91	1	1
307	Nanna Holmgaard List	2	89	1	2
307	Adrienn Ruzsinszky	3	89	1	3
309	Shaul Mukamel	3	87	2	3
320	Paolo Carloni	2	85	2	1
335	Yuki Kurashige	2	82	1	3
336	Leonardo Guidoni	3	81	1	2
336	So Hirata	2	81	2	2
338	Konstantinos D Vogiatzis	2	80	2	3
339	K V Jovan Jose	2	79	1	1
340	Wolfgang Wenzel	2	78	1	2
346	Ivo Cacelli	2	77	1	1
350	Lluís Blancafort	2	76	1	1
350	Roberto Improta	2	76	2	3
361	Masahiro Ehara	2	74	1	2
362	Christel M Marian	2	73	1	3
362	Mingjun Yang	2	73	1	1
362	Mihaly Kallay	2	73	2	2
365	Qiang Cui	2	72	1	5
365	Marielle Soniat	2	72	1	1
365	Edward F C Byrd	2	72	1	1
365	Betsy M Rice	2	72	1	1
365	N Scott Weingarten	2	72	1	1
365	James P Larentzos	2	72	1	1
365	Liao Y Chen	2	72	1	1
390	Marco Garavelli	2	68	2	2
394	Carmen Domene	3	67	1	2
398	Diogo Vila-Viçosa	2	66	1	1
398	Miguel Machuqueiro	2	66	1	1
398	Vítor H Teixeira	2	66	1	1
398	António M Baptista	2	66	1	1
407	Shu-Hua Li	2	65	1	1
407	Edgar Núñez-Rojas	2	65	1	1
407	Adri van Duin	2	65	2	8
407	Jose Alejandre	2	65	1	1
420	Patrice Malfreyt	2	64	1	1
420	Darrin M York	3	64	2	4
420	Aziz Ghoufi	2	64	1	2
443	Fabio Pietrucci	2	61	1	2
443	Erin Johnson	2	61	2	2
443	Oded Hod	2	61	1	1
452	Yu Zhang	2	60	1	1
452	Emanuele Coccia	2	60	1	1
478	Lucas Visscher	2	58	1	1
484	Adam Liwo	2	57	1	1
484	Matteo Barborini	3	57	1	1
484	Adam K Sieradzan	2	57	1	1
484	Michael A Robb	2	57	1	2
488	David J Wales	3	56	2	4
500	Julien Michel	2	54	1	2
500	Timothy J Giese	2	54	1	1
514	Robert Zalesny	2	53	1	1
514	Akio Kitao	2	53	1	1
521	Toru Shiozaki	2	51	1	2
521	Anders M N Niklasson	3	51	1	1
528	Fan Jiang	2	50	1	2
528	Yun-Dong Wu	2	50	1	6
541	Huai Sun	2	48	1	1
541	Bernard R Brooks	2	48	1	5
541	Juyong Lee	2	48	1	1
541	Russo Nino	2	48	2	5
557	Silvana Botti	2	46	1	4
557	Miguel A L Marques	2	46	1	5
584	Charles L Brooks	2	45	2	4
607	Liel Sapir	2	42	1	2
607	Daniel Harries	2	42	1	3
644	Daniel H Friese	2	40	1	3
691	Neil Qiang Su	2	36	1	1
691	Xin Xu	2	36	1	3
706	Robert B Best	2	35	2	5
706	Olga V Kalinina	2	35	1	2
706	Thomas Lengauer	2	35	1	1
706	Mazen Ahmad	2	35	1	1
720	Zheng Zheng	2	34	1	2
720	Roman A Laskowski	2	34	1	2
720	Jiří Hostaš	2	34	1	1
720	Jiří Vondrášek	2	34	1	1
720	David Jakubec	2	34	1	1
743	Alán Aspuru Guzik	2	33	2	14
759	Julie Anne Harris	2	32	1	1
801	Ruge Quhe	2	30	1	4
801	Pratyush Tiwary	2	30	1	4
801	Giovanni Scalmani	2	30	1	1
801	Marco Nava	2	30	1	1
801	B Montgomery Pettitt	2	30	1	2
821	Dan Fraenkel	2	29	1	1
821	Shuxiang Li	2	29	1	1
861	Ramon Costa i Sala	2	27	1	1
861	Ibério De P R Moreira	2	27	1	2
861	Daniel Reta	2	27	1	2
861	Francesc Illas Riera	2	27	2	9
881	Philippe H Hünenberger	2	26	2	1
891	Sergio Paz	2	25	1	1
891	Anna Tramontano	2	25	2	5
891	Marc Cawkwell	2	25	1	3
891	S Alexis Paz	2	25	1	1
913	Thomas K Haxton	2	24	1	3
937	Aatto I Laaksonen	2	23	3	4
973	Ramón Hernández-Lamoneda	2	21	1	1
1101	Henry F Schaefer	2	15	6	11

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