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	Michele Parrinello	7	199	1	1
1	Xiaosong Li	7	187	1	1
3	Alex J W Thom	6	108	1	1
3	Donald G Truhlar	6	757	1	1
3	Mihaly Kallay	6	179	1	1
6	Laura Gagliardi	5	761	2	1
6	Dan Mendels	5	137	1	1
6	Martin Head-Gordon	5	397	2	1
6	Filippo Lipparini	5	103	1	1
6	Markus Reiher	5	819	1	1
6	Pierre-Francois Loos	5	323	1	1
6	David B Williams-Young	5	136	1	1
6	Frank Neese	5	385	1	1
14	Leticia Gonzalez	4	755	2	1
14	Sebastian Mai	4	755	1	1
14	Wonpil Im	4	423	1	1
14	Jiřı́ Šponer	4	208	1	1
14	Quan Manh Phung	4	775	1	1
14	Hannes Jónsson	4	86	1	2
14	Shiwei Zhang	4	150	1	1
14	David L Mobley	4	80	1	2
14	Ursula Röthlisberger	4	88	1	2
14	Kristine Pierloot	4	764	1	1
14	Christian Ochsenfeld	4	53	1	4
14	Denis Jacquemin	4	221	2	1
14	Sonia Coriani	4	257	2	1
14	Massimo Olivucci	4	737	1	1
14	Paolo Carloni	4	132	1	1
14	Christophe Chipot	4	83	1	3
14	Nicola Marzari	4	95	1	6
14	John D Chodera	4	130	1	1
14	A Eugene Deprince, Iii	4	108	1	1
14	Krishnan Raghavachari	4	73	1	1
14	Berend Smit	4	129	1	5
14	Troy Van Voorhis	4	86	1	2
37	David Mester	3	49	1	1
37	Jean-Philip Piquemal	3	118	1	3
37	Shu-Hua Li	3	44	1	5
37	Jógvan Magnus Haugaard Olsen	3	83	1	1
37	Chiara Cappelli	3	114	1	1
37	Sijia S Dong	3	692	1	1
37	Alexander D Mackerell	3	99	1	2
37	James Shee	3	138	1	2
37	Joachim Groß	3	15	1	3
37	Ahmet Altun	3	206	1	1
37	Christoph Dellago	3	303	1	1
37	Charles J C Scott	3	63	1	1
37	Jochen Autschbach	3	715	1	1
37	Yuji Sugita	3	108	2	1
37	Bun Chan	3	134	1	1
37	Hans-Joachim Werner	3	63	1	2
37	Jörg Behler	3	371	1	1
37	Nicholas J Mayhall	3	83	1	2
37	Richard A Friesner	3	797	1	1
37	Nick Blunt	3	73	1	1
37	Richard W Pastor	3	59	1	4
37	Matteo Ambrosetti	3	114	1	1
37	David P Tew	3	74	1	1
37	Michael Gilson	3	84	1	2
37	David J Wales	3	38	2	4
37	Sharon Hammes-Schiffer	3	104	4	3
37	Benedetta Mennucci	3	53	1	4
37	Francesco Paesani	3	64	1	4
37	Frank Jensen	3	89	1	1
37	Jae Woo Park	3	69	1	1
37	Eric Neuscamman	3	55	1	1
37	Tommaso Giovannini	3	114	1	1
37	Andreas Dreuw	3	710	2	1
37	Ray Luo	3	79	1	1
37	Martin Peter Bircher	3	69	1	1
37	Pavel Banáš	3	206	1	1
37	Daniel Kats	3	77	1	1
37	Shichao Sun	3	79	1	1
37	Michał Przybytek	3	53	1	1
37	Felix Plasser	3	741	1	1
37	Katarzyna Pernal	3	40	1	1
37	Dmitri G Fedorov	3	73	1	1
37	Michele Ceriotti	3	155	2	7
37	Bishnu Thapa	3	39	1	1
37	Giovanni Bistoni	3	206	1	1
37	Michael K Gilson	3	84	1	1
86	Christian Waibel	2	11	1	1
86	Emiliano Ippoliti	2	63	1	1
86	Hiromi Nakai	2	30	3	6
86	Daniele Ongari	2	100	1	1
86	Elvar Jónsson	2	19	1	1
86	Raffaello Potestio	2	36	2	1
86	Vicenzo Barone	2	40	3	5
86	Sergio Pantano	2	145	1	1
86	Srinivasan S Iyengar	2	25	2	1
86	Alberto Striolo	2	45	1	1
86	Laurens D M Peters	2	25	1	1
86	María del Carmen Marín Pérez	2	60	1	1
86	Diogo Vila-Viçosa	2	32	1	2
86	Péter R Nagy	2	130	1	1
86	Stefano Corni	2	18	1	7
86	Mark S Gordon	2	36	2	2
86	Andrew Wildman	2	40	1	1
86	Z Faidon Brotzakis	2	62	1	1
86	Nobuyuki Matubayasi	2	21	2	5
86	Julian Tirado-Rives	2	67	1	1
86	Andre Laestadius	2	50	1	1
86	Michał Hapka	2	28	1	1
86	Roland H Lindh	2	681	1	1
86	Wei Jiang	2	40	1	2
86	Jochen Hub	2	86	1	1
86	Gerhard Hummer	2	85	3	5
86	Katharina Boguslawski	2	44	1	1
86	Wei Li	2	25	1	2
86	Sebastian Ehlert	2	2,255	5	1
86	Ryuhei Harada	2	24	1	1
86	Garnet Chan	2	54	3	4
86	Milica Feldt	2	82	1	1
86	Jürgen Köfinger	2	85	1	1
86	David A Egger	2	99	2	4
86	Karsten Reuter	2	47	3	6
86	Filipp Furche	2	39	1	2
86	Rasmus Faber	2	64	1	1
86	Mayank Dodia	2	30	1	2
86	Anna S Kamenik	2	52	1	1
86	Tatsuhiko Ohto	2	30	2	4
86	Jeffery B Klauda	2	421	2	1
86	Hongbin Liu	2	44	1	4
86	Philippe Derreumaux	2	129	2	2
86	Alberto Baiardi	2	83	1	1
86	Giovanni Bussi	2	151	1	1
86	Robert Izsak	2	179	1	1
86	Fionn D Malone	2	71	1	1
86	Mario Barbatti	2	58	1	1
86	Yuki Nagata	2	30	1	4
86	Mohammad Mostafanejad	2	51	1	1
86	Stefan Knecht	2	678	1	1
86	Erik I Tellgren	2	43	1	1
86	Zhigang Ni	2	25	1	1
86	Boyi Zhang	2	60	1	1
86	Exequiel E Barrera	2	145	1	1
86	Ali Alavi	2	712	2	1
86	Stefan Vuckovic	2	73	1	1
86	Toru Shiozaki	2	37	1	1
86	Klaus R. Liedl	2	52	1	2
86	Alexandre Tkatchenko	2	253	2	3
86	Andrew J Jenkins	2	44	1	1
86	Marcus Lundberg	2	681	1	1
86	Hugh G A Burton	2	21	1	1
86	Christine Peter	2	82	1	1
86	Jochen Blumberger	2	29	1	3
86	Teresa E Reinhard	2	36	1	1
86	Jeremy Harvey	2	82	2	2
86	Oliviero Andreussi	2	50	1	3
86	Frédéric Gendron	2	698	1	1
86	Lasse K Sørensen	2	681	1	1
86	Rochus Schmid	2	46	1	2
86	Hossein Eslami	2	53	1	1
86	Thomas Dannenhoffer-Lafage	2	48	1	1
86	Luca De Vico	2	60	1	1
86	Alessandro Erba	2	73	2	1
86	Yasuteru Shigeta	2	24	4	3
86	Yongqiang Cheng	2	104	1	3
86	Gregory A Voth	2	48	4	5
86	Michele Invernizzi	2	34	1	2
86	Adam W Duster	2	45	1	1
86	Hai Lin	2	45	2	1
86	Giovanni Li Manni	2	712	1	1
86	Fabijan Pavošević	2	71	2	2
86	Peter G Bolhuis	2	79	1	2
86	Hong-Zhou Ye	2	47	1	3
86	Simone Meloni	2	63	1	2
86	Eduardo Fabiano	2	63	1	1
86	William L Jorgensen	2	67	1	1
86	Yi Wang	2	112	1	1
86	Xiao He	2	41	1	2
86	Verena A Neufeld	2	57	1	1
86	Sameer Jadhav	2	8	1	2
86	Andreas Singraber	2	299	1	1
86	Giovanni Scalmani	2	35	1	2
86	Rosendo Valero	2	10	1	1
86	Lorenzo Maschio	2	73	1	1
86	Vittorio Limongelli	2	86	1	2
86	Soohyung Park	2	19	1	1
86	Alexey V Onufriev	2	116	1	2
86	Simen Kvaal	2	50	1	2
86	Asmus Ougaard Dohn	2	19	1	3
86	Jonny Proppe	2	75	1	1
86	David R Reichman	2	99	1	1
86	Jianhan Chen	2	60	1	2
86	Roberto Di Remigio	2	57	1	1
86	Chigusa Kobayashi	2	44	1	2
86	Pengyu Ren	2	106	1	2
86	Harald Oberhofer	2	47	2	2
86	Stefan Grimme	2	2,255	6	1
86	Eli Pollak	2	18	1	1
86	Shaul Mukamel	2	30	3	4
86	Jiří Vondrášek	2	26	1	3
86	Nicola Colonna	2	45	1	1
86	James J Shepherd	2	46	1	1
86	Andrea Cavalli	2	77	1	2
86	Chia-En A Chang	2	161	1	1
86	Pal D Mezei	2	18	1	1
86	Viacheslav Bolnykh	2	63	1	1
86	K Birgitta Whaley	2	302	1	1
86	Louis Lagardère	2	29	1	2
86	Timothy C Berkelbach	2	39	1	4
86	Doaa Altarawy	2	60	1	2
86	Michael Lesiuk	2	53	1	2
86	Lingle Wang	2	734	1	1
86	Leon Freitag	2	678	1	1
86	Michel Rérat	2	73	1	1
86	Marie Skepö	2	70	1	1
86	Markus Fleck	2	29	1	1
86	Rachel Crespo-Otero	2	79	1	2
86	Peter V Coveney	2	67	2	3
86	Daniel Claudino	2	76	1	1
86	Rommie E Amaro	2	65	2	3
86	Philippe H Hünenberger	2	45	1	1
86	Maria-Andreea Filip	2	43	1	1
86	Junmei Wang	2	128	1	2
86	Alec F White	2	54	1	1
86	Roberto Dovesi	2	73	1	1
86	Miroslav Krepl	2	99	1	1
86	Matías Rodrigo Machado	2	145	1	1
86	Teresa Head-Gordon	2	61	1	3
86	Jie J Bao	2	688	1	1
86	Henry F Schaefer	2	60	5	2
86	Philippe Carbonniere	2	73	1	1
86	Venkat Kapil	2	53	1	4
86	Jiří Pittner	2	49	1	1
86	Pier Paolo Poier	2	31	1	1
86	Fabio Della Sala	2	63	1	1
86	Lan Cheng	2	104	2	1
86	Anibal J Ramirez-Cuesta	2	104	2	4
86	Rakesh Vaiwala	2	8	1	1
86	Ángel Rubio Secades	2	36	2	11
86	Meiyuan Guo	2	681	1	1
86	Rohit V Pappu	2	59	1	6
86	Lan Nguyen Tran	2	78	1	1
86	Jeong-Mo Choi	2	59	1	2
86	Yifei Qi	2	405	4	2
86	Nico F A Van Der Vegt	2	26	1	5
86	Shunyang Wang	2	26	1	2
86	Michel Caffarel	2	224	1	1
86	Francesco Nattino	2	50	1	3
86	Justin M Turney	2	60	2	1
86	Adrian E Roitberg	2	15	1	3
86	Rochish M Thaokar	2	8	2	6
86	Frank Noé	2	79	2	6
86	Saeed Izadi	2	116	1	1
86	Dominika Zgid	2	81	1	1
86	Peter Pulay	2	30	1	1
86	Jeffrey Comer	2	68	1	1
86	Anthony Scemama	2	142	1	1
86	Jefferson Maul	2	73	1	1
86	Florian Müller-Plathe	2	53	1	1
86	J Wayne Mullinax	2	44	1	1
86	Tanner Culpitt	2	71	1	1
86	Angel Rubio	2	36	1	9
86	Buu Q Pham	2	36	1	1
86	Matteo Ferrabone	2	73	1	1
86	Gergely Gidofalvi	2	44	1	1
86	Alexander D Mackerell Jr	2	41	1	2
86	Jan-Hendrik Prinz	2	79	1	1
86	Matias R Machado	2	145	1	1
268	Liviu Ungur	1	661	1	1
268	Oskar Weser	1	661	1	1
268	Jonas Ståhle	1	388	2	1
268	Nike Dattani	1	661	1	1
268	Tomasz A Wesolowski	1	661	1	1
268	Gilbert Grell	1	661	1	1
268	Markus Oppel	1	661	1	1
268	Manuel N Melo	1	159	1	1
268	Oliver T Unke	1	501	2	1
268	Markus Meuwly	1	501	4	1
268	Michael Gastegger	1	240	1	2
268	Miguel Ángel Valvano	1	388	1	1
268	Göran Widmalm	1	388	2	1
268	Kristof Schütt	1	240	1	2
268	Siewert-Jan Marrink	1	159	3	2
268	Igor Schapiro	1	661	1	1
268	Edward D Harder	1	698	1	1
268	Morgane Vacher	1	661	1	1
268	Mickaël G Delcey	1	661	1	1
268	Seonghoon Kim	1	388	1	1
268	Valera Veryazov	1	661	1	1
268	Ignacio Fdez Galván	1	661	1	1
268	Alessio Valentini	1	661	1	1
268	Jumin Lee	1	388	1	1
268	Rebecca K Carlson	1	661	1	1
268	Prachi Sharma	1	661	2	1
268	Goran Kovacevic	1	661	1	1
268	Sebastian Thallmair	1	159	1	1
268	Klaus-Robert Müller	1	240	6	3
268	Chuanjie Wu	1	698	1	1
268	Alex H De Vries	1	159	1	1
268	Alexander Zech	1	661	1	1
268	Katarina Roos	1	698	1	1
268	Nikolay A Bogdanov	1	661	1	1
268	Stefanie A Mewes	1	661	1	1
268	Andrew M Sand	1	661	1	1
268	Mihkel Ugandi	1	661	1	1
268	Philipp Marquetand	1	661	1	1
268	Angelo Giussani	1	661	2	1
268	J Patrick Zobel	1	661	1	1
268	Joonho Lee	1	260	2	1
268	Per-Åke Malmqvist	1	661	1	1
268	Paulo Ct Souza	1	159	1	2
268	Sergey I Bokarev	1	661	1	1
268	James M Stevenson	1	698	1	1
268	Luis Manuel Frutos Gaite	1	661	1	1
268	Jesper Norell	1	661	1	1
268	Celestino Angeli	1	661	1	1
268	Liviu F Chibotaru	1	661	1	1
268	Marcus Johansson	1	661	1	1
268	Riccardo Alessandri	1	159	1	1
268	Christopher J Stein	1	661	2	1
268	Chad E Hoyer	1	661	1	1
268	William Huggins	1	260	1	1
268	Christoph Bannwarth	1	1,704	1	1
268	Francesco Aquilante	1	661	1	1
268	Sang-Jun Park	1	388	1	1
268	Joel Creutzberg	1	661	1	1
268	Markus K Dahlgren	1	698	1	1
268	William J Huggins	1	260	1	1
268	Sebastian Wouters	1	661	1	1
268	Steven Vancoillie	1	661	1	1
268	Wolfgang Damm	1	698	1	1
268	Chao Lu	1	698	1	1

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