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	Robin M Betz	1	1,068	1	1
1	Knut Teigen	1	1,068	1	1
1	Ian Gould	1	1,068	1	1
1	Callum J Dickson	1	1,068	1	1
5	D Peter Tieleman	1	566	3	2
5	Siewert-Jan Marrink	2	612	1	2
5	Tsjerk A Wassenaar	1	566	1	2
5	Kristyna Pluhackova	1	566	1	1
5	Rainer Arnold Böckmann	1	566	2	1
10	Robert B Best	1	564	3	1
10	Wenwei Zheng	1	564	1	1
10	Jeetain Mittal	1	564	3	1
13	Julien Maupetit	1	525	1	1
13	Philippe Derreumaux	1	525	2	1
13	Pierre Tuffery	1	525	1	1
16	Oleg Prezhdo	3	655	2	1
16	Alexey V Akimov	1	472	2	1
18	Denis Bucher	2	354	1	1
18	J Andrew Mccammon	5	442	1	1
18	Yinglong Miao	1	344	1	1
21	Laura Gagliardi	2	455	4	3
21	Jeppe Olsen	1	334	2	2
21	Rebecca K Carlson	1	334	1	1
21	Giovanni Li Manni	1	334	1	1
21	Donald G Truhlar	10	854	1	1
21	Sijie Luo	3	644	1	1
27	Niels Hansen	1	332	1	1
28	Gregory R Medders	2	605	1	1
28	Francesco Paesani	2	605	1	1
28	Volodymyr Babin	2	605	1	1
31	Kenneth M Merz Jr	3	355	1	1
31	Pengfei Li	1	305	1	1
33	Qiang Cui	2	300	1	1
33	Marcus Elstner	2	330	1	1
33	Xiya Lu	1	275	1	1
33	Michael Gaus	1	275	1	1
37	Antonia Mey	1	256	1	1
37	Bettina G Keller	1	256	1	1
37	Guillermo Pérez-Hernández	1	256	1	1
37	Feliks Nüske	1	256	1	1
37	Frank Noé	1	256	2	2
42	Patanachai Janthon	1	245	1	1
42	Francesc Viñes	1	245	4	1
42	Sergey M Kozlov	1	245	1	1
42	Jumras Limtrakul	1	245	1	1
42	Francesc Illas Riera	2	301	3	2
47	Sason Shaik	2	269	1	1
47	Yirong Mo	1	232	3	1
47	Frank Jensen	2	262	1	1
47	David Danovich	2	269	1	1
47	Changwei Wang	1	232	1	1
52	Darrin M York	5	374	1	1
52	Adrian E Roitberg	3	344	1	1
54	Lane W Votapka	2	350	1	1
54	Jacob D Durrant	2	350	1	1
54	Rommie E Amaro	3	435	1	1
54	Lane Votapka	1	203	1	1
58	Matthew A Addicoat	2	244	1	2
58	Thomas Heine	1	200	5	3
58	Nina Vankova	1	200	1	1
61	Oleg Gritsenko	1	195	2	1
61	Evert Jan Baerends	2	357	2	1
61	Robert van Meer	1	195	1	1
64	Thomas Weymuth	1	181	2	1
64	Peter Chen	1	181	3	1
64	Markus Reiher	1	181	6	1
67	Clemence Corminboeuf	1	177	2	1
67	Piotr de Silva	1	177	1	1
70	Jochen Hub	1	176	1	1
70	Gerrit Groenhof	1	176	3	1
70	Bert L De Groot	1	176	1	2
73	Michele Parrinello	2	245	1	2
73	Pratyush Tiwary	1	175	1	1
73	Matteo Salvalaglio	1	175	1	1
76	Sebastian Mai	1	170	2	3
76	Mario Barbatti	1	170	3	2
76	Hans Lischka	2	224	1	2
76	Marek Pederzoli	1	170	1	1
76	Rachel Crespo-Otero	1	170	1	1
76	Jiří Pittner	1	170	1	2
76	Felix Plasser	1	170	2	3
83	C David Sherrill	2	267	2	2
83	Lori A Burns	1	166	2	2
85	Anna I Krylov	1	161	3	2
85	Roland H Lindh	1	161	1	1
85	Alessio Valentini	1	161	1	1
85	Michael Filatov	1	161	2	1
85	Miquel Huix-Rotllant	1	161	2	1
85	Nicolas Ferré	1	161	1	1
85	Samer Gozem	1	161	1	1
85	Massimo Olivucci	1	161	1	1
85	Luis Manuel Frutos Gaite	2	185	1	1
85	Celestino Angeli	2	202	1	2
85	Federico Melaccio	1	161	1	1
96	Sebastian Ehlert	1	154	2	5
96	Stefan Grimme	1	154	3	6
98	Leonhard M Kick	1	152	1	1
98	Matti J Hanni	2	172	1	1
98	Christian Ochsenfeld	2	172	1	1
101	Jochen Autschbach	5	414	1	1
104	Antonio Monari	2	260	2	1
104	Thibaud Etienne	2	260	1	1
104	Xavier Assfeld	2	260	2	1
109	Barry Moore Ii	2	179	1	1
109	Jiřı́ Šponer	6	361	1	1
109	Michal Otyepka	5	321	1	1
109	Carlo Adamo	4	259	2	2
109	Petr Jurečka	2	159	1	2
109	Denis Jacquemin	10	575	1	1
109	Marie Zgarbova	2	159	1	2
120	Leeor Kronik	2	184	2	3
120	Jeffrey B Neaton	2	249	4	5
120	Roi Baer	2	140	2	1
137	Ben Hall	2	150	1	1
146	Niel M Henriksen	2	203	1	1
150	Benoı̂t Roux	2	156	1	5
150	Benoit Roux	2	156	1	5
153	Jeongnim Kim	3	223	1	1
153	Michael Gilson	3	307	1	1
153	Michael K Gilson	3	307	1	1
166	Henry Lee Woodcock	2	126	2	1
166	Gerhard König	2	125	1	1
171	Jan M L Martin	2	170	1	1
171	Manoj Kumar Kesharwani	2	170	1	1
171	P\u00e9ter G Szalay	2	130	1	1
174	Riccardo Baron	2	128	1	2
187	Hari S Muddana	2	190	2	2
196	Alán Aspuru Guzik	2	203	4	5
209	Alberto Otero de la Roza	2	106	1	2
216	Adèle D Laurent	2	127	2	3
216	Xavier Blase	3	220	1	1
216	Miguel A L Marques	3	130	1	2
216	Boris Le Guennic	3	184	1	1
216	Ivan Duchemin	3	220	1	1
223	Walter Thiel	3	179	1	4
223	Frank Neese	2	158	5	7
232	Gregory A Voth	8	313	1	1
234	Dmitri G Fedorov	3	152	1	1
234	Stephan Irle	2	119	2	5
243	Daniel M Zuckerman	2	89	1	1
243	Holger Kruse	2	113	1	1
263	Mykhaylo Krykunov	2	93	1	1
277	Jean-Philip Piquemal	3	147	1	2
277	Pengyu Ren	3	133	1	2
277	Michael J Schnieders	2	100	1	1
291	Susi Lehtola	2	142	1	1
291	Hannes Jónsson	2	142	2	2
302	Vicenzo Barone	7	229	1	2
302	Chiara Cappelli	2	106	1	1
302	Franco Egidi	2	106	1	1
302	Julien Bloino	2	106	1	3
313	Alexander D Mackerell	2	94	3	7
313	Jesus M Ugalde	2	100	1	1
320	Bernard R Brooks	2	82	1	1
329	Klaus Schulten	3	166	1	2
329	Christophe Chipot	4	210	1	1
329	Jeffrey Comer	3	166	1	1
336	Xuefei Xu	3	114	1	1
336	Ke R Yang	3	114	1	1
338	G Andrés Cisneros	2	96	1	2
340	Martinus Antonius Zwijnenburg	2	97	1	2
340	Stephen A Shevlin	2	97	1	5
340	Karol Kowalski	3	128	1	1
340	Han-Shi Hu	2	97	1	5
340	Xianqiao Wang	2	73	2	2
340	Scott M Woodley	2	97	2	1
340	Enrico Berardo	2	97	1	1
352	Shu-Hua Li	2	69	1	2
352	Lucian A Constantin	3	108	1	1
352	Eduardo Fabiano	3	108	1	1
352	Fabio Della Sala	2	85	1	1
359	Richard A Friesner	2	87	1	2
359	Radek Marek	2	80	2	3
365	Markus Meuwly	3	92	1	1
365	Ángel Rubio Secades	2	67	4	7
365	Angel Rubio	2	67	2	7
380	Paul Ayers	2	112	2	3
380	Patrick Bultinck	2	112	2	2
387	Ming Huang	3	137	1	1
387	José Ortega	2	100	1	1
387	Uğur Bozkaya	3	123	1	1
387	James P Lewis	2	100	1	2
387	Tai-Sung Lee	2	108	1	1
405	Sergio Rampino	2	78	1	1
405	Francesco Tarantelli	3	119	1	1
405	Leonardo Belpassi	3	119	1	1
411	Pavel Banáš	3	113	1	2
411	Oded Hod	2	86	1	1
431	Denis Andrienko	2	82	1	1
431	B Baumeier	2	82	1	1
439	Julian Tirado-Rives	2	93	1	1
439	Richard H Henchman	3	90	1	1
439	Da-Wei Li	2	62	1	2
439	William L Jorgensen	2	93	1	2
439	Julien Michel	2	75	1	1
439	Rafael Brüschweiler	2	62	1	2
439	Georgios Gerogiokas	2	75	1	1
454	Mark E Tuckerman	2	92	1	2
458	Benedetta Mennucci	3	133	1	1
458	Azzam Charaf-Eddin	2	96	1	2
464	Patrick Norman	2	99	2	2
464	Leonardo Guidoni	2	102	2	2
464	Sandro Sorella	2	69	1	2
464	Emanuele Coccia	2	102	1	1
480	Chris -Kriton Skylaris	2	82	1	1
480	Timothy J Giese	2	79	1	1
492	Jógvan Magnus Haugaard Olsen	2	85	1	2
492	Gregory J O Beran	2	62	1	1
492	Jacob Kongsted	3	97	1	2
492	Gábor Csányi	2	64	1	2
510	Camille Latouche	2	68	1	1
510	Kresten Lindorff-Larsen	3	96	1	2
529	Joachim Dzubiella	2	67	1	3
529	Bo Li	2	67	1	1
537	Hujun Shen	2	49	1	1
537	Guo-Hui Li	3	66	1	1
537	Aatto I Laaksonen	2	75	2	2
537	Matthew B Goldey	2	58	1	1
537	Martin Head-Gordon	3	99	2	5
537	Ilaria Ciofini	2	80	2	2
537	Peter M W Gill	2	61	2	2
568	David R Bowler	2	72	2	1
568	David J Wales	2	53	2	3
568	Tsuyoshi Miyazaki	2	72	1	1
591	Andreas Heyden	2	78	1	3
602	Fabio Pietrucci	2	45	1	1
602	Jessica M J Swanson	2	72	1	2
617	Jingzhi Pu	2	63	1	1
621	Xin Li	2	53	5	9
621	Adam Liwo	2	55	1	2
621	Harold A Scheraga	2	55	2	2
621	Zilvinas Rinkevicius	2	53	1	2
621	Daniel J Cole	2	71	1	1
621	Hans Ågren	5	73	1	6
647	Jesper Ferkinghoff-Borg	2	50	1	2
662	Victor Guallar	2	44	1	2
674	Victor S Batista	2	52	1	2
674	Joseph E Subotnik	2	60	2	2
674	Piero Procacci	2	49	1	1
696	Paul l A Popelier	2	62	1	3
703	Miquel Solà	2	65	2	4
716	Hiroya Nakata	2	65	1	1
716	Maria J. Ramos	3	70	2	2
716	António J C Varandas	3	69	2	2
716	Pedro Alexandrino Fernandes	3	70	1	1
716	Krishnan Raghavachari	3	71	1	2
716	Pedro A Fernandes	2	39	1	3
742	Mark S Gordon	4	89	1	2
742	Federico Zahariev	2	57	1	2
742	Krishna K Govender	2	46	1	1
742	Kevin J Naidoo	3	51	1	1
742	Mark Gordon	2	57	1	3
782	Sourav Pal	2	59	1	1
782	Wenjian Liu	2	51	2	6
782	Nayana Vaval	2	59	3	1
782	Achintya Kumar Dutta	2	59	1	1
802	Diogo Vila-Viçosa	2	52	1	1
802	Miguel Machuqueiro	2	52	1	1
802	Vítor H Teixeira	2	52	1	1
802	Ken A Dill	2	37	1	4
802	António M Baptista	3	67	1	1
802	Kwangho Nam	2	50	1	2
822	Zhonghan Hu	2	47	1	1
831	Ruibo Wu	3	48	1	1
877	Angelo Giussani	2	48	1	1
927	David H Mathews	2	38	1	5
981	Yukio Kawashima	2	36	1	1
981	Masanori Tachikawa	2	36	2	3
1002	Yaoming Xie	2	22	2	1
1002	Henry F Schaefer	3	35	2	5
1018	Guillaume Lamoureux	2	25	1	2
1018	Lung-Wa Chung	2	33	1	3
1042	Maciej Długosz	2	22	1	1
1042	Jan Antosiewicz	2	22	1	2
1061	Roberto Luiz A Haiduke	2	23	1	3
1061	Alberico Borges Ferreira da Silva	2	23	2	2
1097	N Arul Murugan	3	20	1	3
1132	Srinivasan S Iyengar	2	18	1	1
1145	George A Kaminski	2	13	1	1
1145	Riccardo Chelli	2	13	1	2
1185	Giacomo Prampolini	2	16	1	5

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Top Authors (by article citations)