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

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