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 article citations)

#	Author	Articles	Citations	R ARank	R CRank
1	He Huang	1	843	1	1
1	Qin Wu	1	843	3	1
1	He Huang	1	843	1	1
1	Chuan Tian	1	843	1	1
1	Carlos L Simmerling	2	852	1	1
1	Lauren Raguette	1	843	1	1
1	John Bickel	1	843	1	1
1	Kellon A A Belfon	1	843	1	1
9	Justin S Smith	1	160	1	1
9	Olexandr Isayev	1	160	2	2
9	Kipton Barros	1	160	2	1
9	Roman Zubatyuk	1	160	1	1
9	Adrian E Roitberg	2	216	1	3
14	Rubén Laplaza	1	151	1	1
14	Jean-Philip Piquemal	2	155	1	1
14	Francesca Peccati	1	151	1	1
14	Roberto A Boto	1	151	1	1
14	Julia Contreras-Garcia	1	151	2	1
14	Alessandra Carbone	1	151	1	1
14	Chaoyu Quan	1	151	1	1
21	Aaron R Dinner	1	120	2	1
21	Paraskevi Gkeka	1	120	1	1
21	Alexandre Tkatchenko	3	166	1	4
21	Christine Peter	2	129	1	1
21	Gabriel Stoltz	1	120	1	1
21	Amir Barati Farimani	1	120	1	2
21	Tony Lelièvre	1	120	1	1
21	Fabio Pietrucci	1	120	2	1
21	Andrew Ferguson	2	128	2	2
21	Rafal P Wiewiora	1	120	1	1
21	John D Chodera	1	120	2	3
21	Michele Ceriotti	4	167	1	1
21	Zineb Belkacemi	1	120	1	1
21	Ana Silveira	1	120	1	1
21	Zofia Trstanova	1	120	1	1
36	Martial Boggio-Pasqua	2	175	2	1
36	Denis Jacquemin	2	175	4	2
36	Filippo Lipparini	2	130	2	3
36	Pierre-Francois Loos	3	199	4	2
40	Artur F Izmaylov	3	311	1	1
40	Robert A Lang	2	216	1	1
40	Ilya G Ryabinkin	1	109	1	1
43	Tzu-Ching Yen	2	202	1	1
43	Vladyslav Verteletskyi	2	202	1	1
45	Martin Head-Gordon	8	408	1	1
45	Diptarka Hait	4	308	1	1
47	Jin'An Wang	1	105	1	1
47	Yinglong Miao	1	105	1	1
47	Apurba Bhattarai	1	105	1	1
51	David E Shaw	1	104	3	1
51	Paul Robustelli	1	104	1	1
51	Stefano Piana	1	104	1	1
54	Nicholas J Mayhall	3	139	1	2
54	Sophia E Economou	1	96	2	2
54	Daniel Claudino	1	96	1	1
54	Edwin	1	96	2	2
58	Ting-Jun Hou	1	90	4	4
58	Daniel S Levine	2	175	1	1
58	Xiao-Jun Yao	1	90	7	2
58	K Birgitta Whaley	2	175	2	2
58	Norman M Tubman	2	175	1	1
58	Ercheng Wang	1	90	1	1
58	Dong-Sheng Cao	1	90	4	4
58	Xueping Hu	1	90	1	1
67	Susi Lehtola	1	85	3	2
68	Nicholas H Stair	1	83	1	1
68	Francesco A Evangelista	1	83	2	2
70	Jörg Behler	1	80	5	2
70	Christoph Schran	2	84	1	2
72	Liel Sapir	2	117	1	1
72	Daniel Harries	2	117	1	1
74	Ryther Anderson	1	76	1	2
74	Diego A Gómez-Gualdrón	1	76	1	2
76	Erik Mickoleit	1	74	1	1
76	Andreas Jäger	1	74	1	1
76	Shiang-Tai Lin	1	74	1	1
76	Chieh-Ming Hsieh	1	74	1	1
76	Jadran Vrabec	1	74	3	1
76	Cornelia Breitkopf	1	74	1	1
76	Ian Bell	1	74	5	2
83	Vicenzo Barone	5	123	1	1
83	Cristina Puzzarini	2	100	2	1
83	Silvia Alessandrini	1	73	1	1
87	YIhan Shao	2	80	2	1
87	Dage Matts Börje Sundholm	1	69	4	1
87	Ye Mei	2	80	1	2
87	Ville R I Kaila	1	69	3	3
87	Dage Sundholm	1	69	3	1
92	Julia E Rice	1	68	1	2
92	Helmut Grubmüller	4	111	1	1
92	Bartosz Kohnke	1	68	1	1
92	Carsten Kutzner	1	68	1	1
92	Kanav Setia	1	68	1	1
92	James Daniel Whitfield	2	76	1	2
92	Antonio Mezzacapo	1	68	2	3
99	Mark R Hoffmann	1	67	1	2
99	Wenjian Liu	2	87	2	3
99	Ning Zhang	1	67	1	3
102	Garnet Chan	3	111	2	4
102	Robert Izsak	2	112	1	1
102	Zhi-Hao Cui	2	104	1	2
102	Tianyu Zhu	2	104	1	2
102	Frank Neese	4	188	3	4
102	Giovanni Bistoni	2	109	2	2
111	Jan Řezáč	2	110	1	2
115	John M Herbert	2	110	1	1
117	Sebastian Ehlert	3	103	2	5
117	Vladimiro Mujica	2	91	1	1
117	Stefan Grimme	3	103	1	4
117	Carmen Herrmann	3	95	1	1
127	Kenneth M Merz Jr	7	110	2	2
127	Lin Frank Song	2	62	1	2
133	Yuji Sugita	2	67	1	2
133	Benoı̂t Roux	5	154	1	2
133	Benoit Roux	4	101	1	2
145	Benjamin Nebgen	2	80	1	3
145	Sergei Tretiak	5	117	1	4
145	Huajing Song	2	76	1	1
145	Walter Malone	2	80	1	1
145	Yu Zhang	3	86	1	2
145	Sebastian Fernandez-Alberti	2	63	1	2
145	Tammie R Nelson	2	66	1	2
145	Victor M Freixas	2	63	1	1
159	Robin Grotjahn	2	75	1	2
159	Martin Kaupp	5	131	1	2
164	Alexander D Mackerell	2	67	1	2
164	Edward D Harder	2	61	1	1
164	Hyeonho Choi	2	58	1	1
164	Lingle Wang	2	61	1	1
164	Won-Joon Son	2	58	1	1
190	Johannes Kästner	2	75	2	1
192	Karol Kowalski	2	69	2	3
192	Giacomo Prampolini	2	67	1	1
192	David W Small	2	53	1	2
192	Wibe A De Jong	2	70	1	3
192	Roberto Improta	3	101	1	1
192	Fabrizio Santoro	3	101	1	1
192	Javier Cerezo	2	67	1	1
205	Attila Tajti	2	72	1	1
205	P\u00e9ter G Szalay	2	72	1	2
211	Vassiliki-Alexandra Glezakou	2	79	1	4
211	Xavier Blase	2	57	1	3
211	Roger Rousseau	2	79	1	4
211	Manh-Thuong Nguyen	2	79	1	1
220	Othon Moultos	2	54	2	1
220	Roland H Lindh	4	127	1	2
220	Hannes Jónsson	2	60	2	2
220	Arno Förster	2	68	1	1
220	Christian Ochsenfeld	3	69	1	3
220	Lucas Visscher	3	80	1	2
220	Thijs J H Vlugt	2	54	2	2
234	Lin Lin	2	49	2	2
234	Marc Riera	2	60	1	1
234	Jan M L Martin	3	93	1	2
234	Francesco Paesani	3	71	1	2
234	Xing Gao	4	120	1	1
234	Eitan Geva	5	126	1	1
234	Yudan Liu	2	69	1	1
234	Joonho Lee	2	74	2	3
253	Jason D Goodpaster	2	57	1	2
253	Daniel Sterling Graham	2	57	1	1
253	Xuelan Wen	2	57	1	1
253	Timothy C Berkelbach	2	51	2	2
253	Charles L Brooks	2	79	1	1
253	Dhabih V Chulhai	2	57	1	1
253	Daniel S Graham	2	57	1	1
268	Silvana Botti	2	67	1	3
268	Miguel A L Marques	2	67	1	4
282	Laura Gagliardi	3	99	2	5
282	Hua Guo	3	85	5	2
282	Matthew R Hermes	2	59	1	2
282	Holger Gohlke	2	45	3	3
282	Hua Guo	3	85	3	2
282	Donald G Truhlar	10	237	1	2
300	Jiřı́ Šponer	4	100	1	1
300	Leeor Kronik	2	40	1	2
300	Michal Otyepka	3	84	2	3
300	David R Yarkony	2	45	2	2
300	Pavel Banáš	2	68	1	1
300	Petra Kührová	2	68	1	1
300	Vojtech Mlynsky	2	68	1	1
300	Yafu Guan	2	45	1	2
300	Oded Hod	2	55	1	1
318	Shoji Takada	2	50	1	2
318	Sotaro Fuchigami	2	50	1	1
318	Dayou Zhang	3	66	1	1
318	Toru Niina	2	50	1	1
324	Markus Meuwly	2	45	4	4
331	Florian Weigend	2	70	3	2
331	Gregory A Voth	4	65	1	1
331	Eric Neuscamman	3	72	2	2
331	Jacqueline A R Shea	2	50	1	1
350	Siewert-Jan Marrink	2	44	2	9
350	Brian K Radak	2	59	2	3
350	Woody Sherman	2	59	1	2
350	Alex H De Vries	2	44	1	3
350	Lorenzo Maschio	4	71	1	2
350	Charles Lin	2	59	1	2
350	Jonathan Barnoud	2	44	1	3
350	Zhixiong Lin	2	59	1	1
369	Stephan N Steinmann	2	60	1	1
369	Carine Michel	2	60	1	1
369	Petr Slavíček	2	63	2	2
369	Andreas W Götz	3	78	1	2
369	Paul Clabaut	2	60	1	1
378	Riccardo Conte	2	51	2	2
378	Florian Müller-Plathe	2	60	1	1
410	Xiaosong Li	2	43	4	6
410	Weiwei Xie	2	51	1	1
410	Fionn D Malone	3	61	1	2
410	Marcus Elstner	2	51	1	1
410	Emmanouil Semidalas	2	49	1	1
410	Miguel A Morales	2	48	1	2
429	Jógvan Magnus Haugaard Olsen	3	51	1	2
429	Christof Hattig	3	37	2	2
429	Barry D Dunietz	2	35	2	3
429	Jacob Kongsted	3	40	1	2
429	Alireza Marefat Khah	3	37	1	2
429	Peter Reinholdt	4	52	1	1
460	Heather J Kulik	3	78	1	4
460	Ali Alavi	2	50	2	4
460	Bruno A C Horta	2	49	1	1
460	Kieron Burke	3	43	2	2
460	Yinan Shu	4	79	1	1
460	Philippe H Hünenberger	4	70	1	1
460	Fang Liu	2	50	1	2
460	Salomé R Rieder	2	49	1	1
488	Karsten Reuter	2	39	1	8
488	Edward G Hohenstein	2	49	2	2
488	Todd J Martinez	4	79	2	3
488	Jin-Long Yang	2	50	4	10
488	Henrik Koch	2	44	1	3
488	Sarai Dery Folkestad	2	44	1	2
488	Marco Pagliai	2	32	1	2
488	Jie Liu	2	50	1	1
512	Clemence Corminboeuf	3	44	1	2
512	William J Glover	2	40	1	1
512	Nadia Rega	2	49	2	1
512	Gareth A Tribello	2	40	1	1
512	Maria Gabriella Chiariello	2	49	1	1
534	Giuseppe M J Barca	2	34	1	2
534	Mark S Gordon	3	50	1	3
534	Madushanka Manathunga	2	44	1	1
534	Sandra Luber	2	45	1	1
534	Mark Gordon	2	42	1	2
534	Yifan Lai	2	50	1	1
551	Carmen Domene	2	30	1	1
551	Simone Furini	2	30	2	2
551	Michael Gilson	2	39	2	4
551	Anders M N Niklasson	2	34	1	2
551	Julien Toulouse	2	39	2	2
551	Michael K Gilson	2	39	1	3
576	Emily Ann Carter	2	44	2	8
576	Giovanni Macetti	2	41	1	1
576	Alessandro Genoni	2	41	1	3
576	Roberta Poloni	2	33	1	2
576	David Lauvergnat	3	48	1	1
576	Luigi Genovese	2	42	1	2
576	Yingzhou Li	2	31	1	2
576	Federica Agostini	2	40	1	1
576	Takeshi Yanai	4	48	1	1
576	Qing Zhao	2	44	1	1
613	Hiromi Nakai	2	32	2	4
613	B Scott Fales	3	52	1	2
613	Gustavo E Scuseria	3	22	1	2
613	Daniel Kats	2	33	1	2
613	Takeshi Yoshikawa	2	32	2	2
613	Stefan Seritan	2	32	1	2
651	James Shee	3	44	1	2
651	Florian Eich	2	22	1	2
651	Richard A Friesner	2	23	1	2
651	Dilek Coskun	2	23	1	1
651	Carlo Adamo	3	44	1	1
651	David J Wales	2	24	2	2
651	William L Jorgensen	3	21	2	2
651	John L Weber	2	23	1	2
651	Ilaria Ciofini	2	41	2	5
651	Glen M Hocky	2	30	1	2
651	Marie Skepö	2	29	2	2
651	Benjamin Rudshteyn	2	23	1	1
651	Ángel Rubio Secades	4	47	3	13
651	David F Hahn	3	42	1	2
709	Wen-Li Zou	2	28	1	4
709	Alessandro Troisi	2	32	1	4
709	Shaul Mukamel	2	24	2	8
709	Yifei Qi	2	23	2	8
709	John Z H Zhang	2	23	2	6
746	Hao Dong	2	28	1	1
746	Michael Ruggenthaler	2	25	1	3
746	Susumu Okazaki	2	32	1	1
746	Iris Theophilou	2	25	1	2
746	Wataru Shinoda	2	32	1	1
746	Jae Woo Park	2	30	1	2
746	Angel Rubio	2	25	3	15
793	Hugh G A Burton	2	23	1	1
793	Alex J W Thom	4	41	1	1
793	Johannes Neugebauer	2	29	1	2
793	Linyao Zhang	2	30	1	1
793	Shaozeng Sun	2	30	2	3
793	Krishnan Raghavachari	2	25	1	3
813	Loriano Storchi	2	29	1	1
813	Francesco Colizzi	3	32	1	1
813	Michael Walter	2	22	1	3
813	Matteo De Santis	2	29	1	1
813	Francesco Tarantelli	2	29	1	1
813	Leonardo Belpassi	2	29	1	2
813	Sanja Zivanovic	3	32	1	1
813	Adam Hospital Gasch	3	32	1	1
813	Modesto Orozco López	3	32	1	4
813	Marco Fusè	2	18	2	5
813	Robert Soliva	3	32	1	1
813	Devin A Matthews	2	28	1	3
813	Sara Del Galdo	2	22	1	1
858	Fabian Paul	2	30	1	2
858	Alberto Fabrizio	2	18	1	3
858	Abrahan Nitzan	2	29	2	3
858	Filip Lankaš	2	26	1	1
884	Lucian A Constantin	3	41	2	2
884	Prasanjit Samal	2	27	2	3
884	David L Mobley	2	24	2	7
884	Ursula Röthlisberger	2	17	2	8
884	Anand Srivastava	2	21	1	1
884	Subrata Jana	2	27	2	2
884	Gennady M Verkhivker	2	18	2	6
884	Szymon Śmiga	3	41	1	1
884	A Eugene Deprince, Iii	2	26	1	4
884	Shunyang Wang	2	27	1	2
955	Yongqiang Cheng	2	28	2	6
955	Daniel Graf	2	24	1	1
955	Anibal J Ramirez-Cuesta	2	28	2	7
955	Trayder Thomas	2	18	1	1
955	Jose Luis Morales	2	20	1	1
1023	Marco Caricato	3	31	1	1
1023	Zeyu Zhou	2	21	1	1
1023	Lyudmila V Slipchenko	3	36	1	2
1023	Jonathan P K Doye	2	23	1	4
1023	Jin Wang	2	26	3	12
1023	Chris Oostenbrink	3	36	1	3
1023	Dmitri G Fedorov	2	25	2	5
1085	Aditya Kulkarni	2	16	1	1
1085	Roland Faller	2	12	1	4
1085	Oliver J Backhouse	2	23	1	1
1085	Harald Oberhofer	2	18	1	4
1085	Maximilian Kohns	2	16	2	3
1085	George H Booth	2	23	2	3
1085	Hans Hasse	2	16	3	9
1085	Yongbin Kim	2	23	1	1
1157	Michał Hapka	2	19	1	1
1157	Jochen Autschbach	2	15	3	9
1157	Richard L Anderson	3	24	1	2
1157	David J Bray	3	24	1	2
1157	Katarzyna Pernal	2	19	2	1
1212	Ove Christiansen	2	18	2	2
1212	Paola Gori-Giorgi	2	19	2	1
1212	Michael R Shirts	3	21	1	3
1263	Ron Elber	2	16	2	4
1309	Mikael Lund	2	13	1	2
1309	Tian Qiu	2	9	1	4
1309	Qinghua Wang	2	12	1	4
1309	Breanndan O Conchuir	2	13	1	1
1309	William C Swope	2	13	1	1
1309	Lee M Thompson	2	14	1	1
1309	Jianpeng	2	12	1	2
1309	Andrew M Rappe	2	9	2	10
1376	Michele Parrinello	2	13	2	8
1376	Ping Yang	2	13	2	15
1376	Enrique R Batista	2	13	1	4
1376	Yasuteru Shigeta	2	9	3	11
1376	Marc Cawkwell	2	13	3	3
1376	Carlos A Jiménez-Hoyos	2	10	1	2
1481	Frederick R Manby	2	8	2	3
1481	Rhiannon A Zarotiadis	2	6	1	2
1660	Carmay Lim	2	4	1	5
1688	John R Yates 3rd	2	0	5	44
1688	Joel D Blum	2	0	3	28
1688	Paul S Weiss	2	0	7	27
1688	David T Allen	2	0	4	24
1688	Shana Sturla	2	0	3	24
1688	Laura Kiessling	2	0	3	22
1688	Anne B Mccoy	2	0	2	21
1688	Martin T Zanni	2	0	5	25
1688	Cynthia J Burrows	2	0	5	25
1688	Prashant V Kamat	2	0	6	24
1688	Philip J Proteau	2	0	3	21
1688	Scott J. Miller	2	0	7	25
1688	Stuart J Rowan	2	0	4	31
1688	M G Finn	2	0	7	26
1688	Marc A Hillmyer	2	0	12	28
1688	Paul J Chirik	2	0	7	26
1688	Jianwu Wang	2	0	7	42
1688	Courtney C Aldrich	2	0	3	26
1688	Harry A Atwater	2	0	8	35
1688	T Randall Lee	2	0	8	26
1688	Joseph A Loo	2	0	4	24
1688	William B Tolman	2	0	4	26
1688	Peter J Stang	2	0	7	27
1688	Jodie L Lutkenhaus	2	0	7	38
1688	Hongwei Wu	2	0	4	24
1688	Mary Beth Mulcahy	2	0	1	20
1688	Sharon Hammes-Schiffer	2	0	8	27
1688	Kai Rossen	2	0	1	20
1688	Gerald J Meyer	2	0	6	24
1688	Lynne S Taylor	2	0	5	30
1688	Vincent M Rotello	2	0	6	36
1688	Gilbert C Walker	2	0	2	22
1688	Julie B Zimmerman	2	0	6	30
1688	J Justin Gooding	2	0	13	44
1688	De-Qing Zhang	2	0	6	32
1688	Bryan W Brooks	2	0	6	37
1688	Hyun Jae Kim	2	0	3	26
1688	Jonathan W Steed	2	0	3	24
1688	Phillip E Savage	2	0	4	26
1688	Joan F Brennecke	2	0	6	28
1688	Teri W Odom	2	0	6	25
1688	Shaomeng Wang	2	0	3	26
1688	Gunda I Georg	2	0	5	26
1688	David Kaplan	2	0	9	61
1688	Jillian M Buriak	2	0	7	24
1688	Joan-Emma Shea	2	0	4	24
1688	Craig W Lindsley	2	0	6	30
1688	Sébastien Lecommandoux	2	0	5	28
1688	Thomas A Holme	2	0	2	21
1688	Erick Moran Carreira	2	0	8	31
1688	Alanna Schepartz	2	0	2	28
1688	Krishna N Ganesh	2	0	4	23
1688	Jonathan V Sweedler	2	0	5	29
1688	Christopher W Jones	2	0	6	35
1688	Gregory D Scholes	2	0	7	30
1688	Kirk S Schanze	2	0	15	33
1688	Thomas Hofmann	2	0	2	36
1688	Carolyn R Bertozzi	2	0	8	30
1688	Dennis C Liotta	2	0	4	29
1688	Christopher A Voigt	2	0	2	27

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