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	Vicenzo Barone	6	174	2	1
1	Markus Reiher	6	469	1	2
3	Walter Thiel	5	325	2	2
3	John M Herbert	5	206	1	1
3	Martin Head-Gordon	5	558	2	2
7	Jiřı́ Šponer	4	548	1	1
7	Xiaosong Li	4	122	1	2
7	Jochen Autschbach	4	139	1	2
7	Noa Marom	4	357	1	2
7	David J Wales	4	100	1	3
7	Denis Jacquemin	4	164	3	3
7	Eric Neuscamman	4	104	1	1
7	Thomas Körzdörfer	4	366	1	1
7	Francesc Illas Riera	4	137	1	3
7	Yifei Qi	4	2,676	1	1
17	Weitao Yang	3	127	1	3
17	Edoardo Aprà	3	50	1	2
17	Raffaello Potestio	3	85	1	2
17	Michele Parrinello	3	22	1	6
17	Mark S Gordon	3	61	2	2
17	Jean-Luc E Bredas	3	206	3	2
17	Sergei Y Noskov	3	45	1	2
17	Guo-Hui Li	3	99	1	3
17	Alessandro Laio	3	81	1	1
17	Giovanni Bussi	3	273	1	1
17	Toon Verstraelen	3	248	1	2
17	Alexei A Kananenka	3	114	1	1
17	Giacomo Prampolini	3	135	2	1
17	Michal Otyepka	3	520	1	1
17	David L Mobley	3	236	1	1
17	Wenjian Liu	3	179	1	1
17	Richard A Friesner	3	2,595	1	1
17	Marcus Elstner	3	95	1	2
17	Gregory A Voth	3	135	2	4
17	Bernard R Brooks	3	162	1	1
17	Sonia Coriani	3	59	1	1
17	Lorenzo Maschio	3	135	1	1
17	Efthimios Kaxiras	3	220	2	5
17	Todd J Martinez	3	173	2	3
17	Nicolas Ferré	3	116	1	2
17	Patrick Rinke	3	327	2	1
17	Juerg Hutter	3	181	1	1
17	Amir Karton	3	135	1	3
17	Luning Zhao	3	75	1	1
17	Joseph Ortiz	3	279	1	1
17	Martin Kaupp	3	64	2	4
17	David B Williams-Young	3	71	1	1
17	Shunyang Wang	3	164	1	1
17	Michael R Shirts	3	79	1	2
17	John Z H Zhang	3	109	1	3
17	Frank Noé	3	447	1	1
17	Dominika Zgid	3	114	1	2
17	Frank Neese	3	437	3	2
17	Gerhard König	3	162	1	1
57	Julian J Kranz	2	49	1	1
57	Giuseppe M J Barca	2	28	1	1
57	Alston J Misquitta	2	122	1	2
57	Laura Gagliardi	2	99	4	5
57	Yuezhi Mao	2	135	2	3
57	D Peter Tieleman	2	89	2	2
57	Grigory Kolesov	2	146	1	1
57	Rebecca C Wade	2	40	1	7
57	Zongtang Fang	2	75	2	1
57	Susi Lehtola	2	83	1	1
57	Xin Li	2	19	2	10
57	Lin Shen	2	112	1	1
57	Habiburrahman Zulfikri	2	39	1	1
57	Neil Qiang Su	2	179	1	1
57	Ting-Jun Hou	2	92	2	5
57	Emily Ann Carter	2	44	3	7
57	Jógvan Magnus Haugaard Olsen	2	68	1	2
57	Frederick R Manby	2	73	1	1
57	Stefano Baroni	2	28	1	3
57	Matteo Barborini	2	10	1	2
57	Omar Valsson	2	16	1	4
57	Garnet Chan	2	157	2	4
57	Claudio Amovilli	2	39	1	1
57	Gerrit Groenhof	2	120	1	2
57	Leo Radom	2	66	1	2
57	Hannes Jónsson	2	83	3	2
57	Alexander D Mackerell	2	2,606	2	1
57	Bernd Hartke	2	39	1	1
57	Kenneth B Wiberg	2	25	1	1
57	Jan Wilhelm	2	158	1	1
57	Thomas B Pedersen	2	141	1	2
57	Paul l A Popelier	2	45	1	5
57	Yuriy Sereda	2	12	1	1
57	Alberto Baiardi	2	46	2	3
57	YIhan Shao	2	120	1	2
57	Edward F Valeev	2	23	2	4
57	Francesc Viñes	2	70	1	4
57	Bun Chan	2	66	1	2
57	Christopher N Rowley	2	130	1	2
57	Zhendong Li	2	56	1	2
57	Alejandro Gil-Ley	2	148	1	1
57	Marco Garavelli	2	52	2	2
57	Alessio Valentini	2	104	1	2
57	Joost VandeVondele	2	84	1	1
57	Toru Shiozaki	2	120	1	1
57	Klaus R. Liedl	2	91	1	2
57	Patrick Norman	2	19	2	4
57	Dan Li	2	92	1	2
57	Xuchun Yang	2	104	1	1
57	Denis Andrienko	2	80	1	3
57	János Ángyán	2	121	2	1
57	Farnaz Heidar-Zadeh	2	157	1	1
57	Dimitrios A Pantazis	2	206	1	1
57	Davide Donadio	2	61	1	5
57	Alexey Akimov	2	129	1	2
57	Markus Mk Kowalewski	2	30	2	5
57	Dage Matts Börje Sundholm	2	67	2	3
57	Claudia Filippi	2	39	1	2
57	Benjamin G Janesko	2	26	1	1
57	Carlo Adamo	2	193	3	1
57	Zhongwei Hu	2	38	1	2
57	Manuel F Ruiz-López	2	112	1	1
57	Joshua J Goings	2	69	1	2
57	Luca De Vico	2	59	1	2
57	Ernst-Walter Knapp	2	29	1	2
57	Pavlo O Dral	2	197	1	1
57	Anastassia N Alexandrova	2	153	2	1
57	Maria Belen Oviedo	2	114	1	1
57	Ali A Hassanali	2	102	1	3
57	Gerhard Stock	2	91	1	1
57	Bryan M Wong	2	114	2	2
57	Stefano Baroni	2	28	1	3
57	Alessandro Genoni	2	112	1	1
57	Peter Schreiner	2	80	3	2
57	Giovanni Li Manni	2	200	1	2
57	Zhaleh Ghaemi	2	26	1	1
57	Lucas K Wagner	2	72	2	2
57	Anthony J Stone	2	122	1	1
57	Erik Donovan Hedegård	2	50	1	2
57	Ye Mei	2	120	1	1
57	William L Jorgensen	2	2,453	1	1
57	Wesley D Allen	2	29	1	2
57	Benedetta Mennucci	2	164	2	1
57	S Knippenberg	2	38	1	1
57	Frank Jensen	2	29	1	4
57	Giovanni Scalmani	2	26	1	1
57	Cyrus Umrigar	2	360	1	1
57	Alberto Otero de la Roza	2	67	2	1
57	David A Dixon	2	75	3	3
57	Filippo Lipparini	2	155	1	1
57	Xin Xu	2	179	2	1
57	C David Sherrill	2	125	1	2
57	Erin Johnson	2	67	1	1
57	Marco Antonio Chaer Nascimento	2	67	1	1
57	Hichem Dammak	2	69	1	1
57	Christof Hattig	2	47	1	2
57	Tomas Bucko	2	166	1	1
57	Paola Gori-Giorgi	2	74	2	1
57	Shaul Mukamel	2	30	2	11
57	Andrea Cavalli	2	38	3	5
57	Timothy Gould	2	166	1	1
57	Samuel Genheden	2	36	1	2
57	Jacob Kongsted	2	68	2	2
57	Donald G Truhlar	2	419	5	4
57	Alexey V Akimov	2	129	1	2
57	Francesco A Evangelista	2	80	2	2
57	Amber Jain	2	122	1	2
57	Hoi Ling Luk	2	104	1	1
57	Lingle Wang	2	2,414	1	1
57	Massimo Olivucci	2	104	1	2
57	Henrik Koch	2	56	1	1
57	Mathieu Linares	2	33	1	3
57	Teresa Head-Gordon	2	98	2	3
57	Henry F Schaefer	2	22	5	9
57	Thomas E Cheatham	2	399	1	1
57	Qiming Sun	2	292	1	1
57	Gabriel Hanna	2	21	1	1
57	Michiel Jan van Setten	2	209	1	3
57	Nicholas A Besley	2	46	1	2
57	Peter M W Gill	2	28	1	2
57	A Eugene Deprince, Iii	2	188	1	1
57	Mihaly Kallay	2	81	1	1
57	Lasse Jensen	2	38	2	4
57	Maytal Caspary Toroker	2	62	2	2
57	Sandro Bottaro	2	179	1	1
57	André Anda	2	59	1	1
57	Thorsten Hansen	2	59	1	1
57	Kurt Kremer	2	44	2	3
57	Xin Wu	2	197	1	1
57	Christopher J Stein	2	315	1	1
57	Joseph E Subotnik	2	122	2	4
57	Mark E Tuckerman	2	50	1	4
57	Alessio Petrone	2	73	1	2
57	David A Case	2	2,728	1	1
57	Mark Gordon	2	58	1	1
57	Paul Ayers	2	157	4	2
57	Zilvinas Rinkevicius	2	19	1	1
57	Bartolomeo Civalleri	2	116	1	1
57	Franco Egidi	2	64	1	2
57	Eric C Dybeck	2	66	1	1
57	Ryan M Richard	2	125	1	1
57	Julien Bloino	2	46	1	4
57	Fabrizio Santoro	2	100	2	3
57	Fabien Brieuc	2	69	1	1
57	Josef Melcr	2	56	1	2
57	Javier Cerezo	2	100	2	1
57	Giovanni Bistoni	2	258	1	1
57	Stephan Irle	2	66	1	3
57	Troy Van Voorhis	2	84	1	3
57	Hans Ågren	2	19	5	11
57	Karsten Kreis	2	44	1	1
57	Shiladitya Banerjee	2	46	1	1
57	Mauro Del Ben	2	158	1	1
57	C J Umrigar	2	360	1	1
57	Dage Sundholm	2	67	2	3
57	Sebastian Wouters	2	240	1	1
57	Adam A Holmes	2	360	1	1
57	Jordan J Phillips	2	53	1	1
57	Tran Nguyen Lan	2	74	1	1
57	Omar Demerdash	2	98	1	1
57	J V Ortiz	2	125	1	1
224	Ikutaro Hamada	1	156	1	1
224	Leticia Gonzalez	1	145	5	5
224	Sebastian Mai	1	145	4	4
224	Wonpil Im	1	2,567	3	1
224	Rodrigo Galindo-Murillo	1	351	1	1
224	Alexander A Auer	1	231	1	1
224	Vikram Khipple Mulligan	1	382	1	1
224	Marco Govoni	1	156	1	1
224	Markus Oppel	1	145	1	1
224	Jean-Philip Piquemal	1	136	2	1
224	Justin A Lemkul	1	2,567	1	1
224	David Baker	1	382	4	3
224	Stefano Caprasecca	1	136	1	1
224	Peter Scherpelz	1	156	1	1
224	Jeffery B Klauda	1	2,567	3	1
224	Edward D Harder	1	2,349	1	1
224	Min Sun Yeom	1	2,567	1	1
224	David E Kim	1	382	2	1
224	Christoph Riplinger	1	231	2	2
224	Philip Bradley	1	382	1	1
224	Lillian T Chong	1	161	1	1
224	Ali Alavi	1	156	1	1
224	Jumin Lee	1	2,567	1	1
224	Sheng Guo	1	145	1	2
224	Yuan Liu	1	382	1	1
224	Ángel J Pérez-Jiménez	1	165	2	1
224	Narbe Mardirossian	1	355	2	2
224	Masaaki Saitow	1	231	1	1
224	Pratyush Tiwary	1	184	2	3
224	Simon D Smart	1	156	1	1
224	David S Cerutti	1	161	1	1
224	Xinguo Ren	1	154	2	1
224	Karl T Debiec	1	161	1	1
224	Petr Jurečka	1	351	1	1
224	Chuanjie Wu	1	2,349	1	1
224	Sunhwan Jo	1	2,567	1	1
224	Xiao He	1	364	3	2
224	Marika Savarese	1	165	2	1
224	Daniele Loco	1	136	1	1
224	Hahnbeom Park	1	382	2	1
224	Louis Lagardère	1	136	2	1
224	Frank DiMaio	1	382	2	3
224	Giulia Galli	1	156	1	1
224	Charles L Brooks	1	2,567	2	1
224	Éric A G Brémond	1	165	2	1
224	Philipp Marquetand	1	145	3	3
224	James C Robertson	1	351	1	1
224	Norman M Tubman	1	294	1	1
224	John D Chodera	1	133	1	1
224	Marie Zgarbova	1	351	1	1
224	Felix Plasser	1	145	4	2
224	Edward B Miller	1	184	1	1
224	Haoyu S Yu	1	364	1	2
224	Vijay S Pande	1	2,567	1	1
224	Caitlin C Bannan	1	137	1	1
224	Robert Abel	1	2,349	1	1
224	Juan C Sancho García	1	165	2	2
224	Manuel Sparta	1	231	1	1
224	Markus K Dahlgren	1	2,349	1	1
224	Weifeng Hu	1	145	1	1
224	Jong Cheol Jeong	1	2,567	1	1
224	Edward Harder	1	2,349	1	1
224	B J Berne	1	184	2	2
224	Shuai Wei	1	2,567	1	1
224	Wolfgang Damm	1	2,349	1	1
224	Dmitry Lupyan	1	2,349	1	1

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