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	Kevin E Hauser	1	7,322	1	1
1	Carlos L Simmerling	3	7,456	1	1
1	Lauren Wickstrom	1	7,322	1	1
4	Adrian E Roitberg	1	896	1	1
4	Scott Le Grand	1	896	1	1
6	Fabian Paul	1	876	1	1
6	Guillermo Pérez-Hernández	1	876	1	1
6	Christoph Wehmeyer	1	876	1	1
6	Moritz Hoffmann	1	876	1	1
6	Frank Noé	4	1,128	1	1
6	Jan-Hendrik Prinz	1	876	1	1
12	D Peter Tieleman	4	1,213	2	1
12	Siewert-Jan Marrink	6	1,780	1	1
12	Tsjerk A Wassenaar	2	941	1	1
12	Helgi I Ingólfsson	4	1,662	1	1
12	Rainer Arnold Böckmann	2	941	1	1
17	Julian Tirado-Rives	1	611	1	1
17	William L Jorgensen	3	663	1	2
17	Michael Joseph Robertson	1	611	1	1
20	O Anatole Von Lilienfeld	3	756	1	1
20	Matthias S Rupp	1	579	2	2
20	Pavlo O Dral	2	665	1	1
20	Raghunathan Ramakrishnan	1	579	3	2
26	Jan M L Martin	1	544	1	1
26	Dimitrios G Liakos	3	849	1	1
26	Manoj Kumar Kesharwani	1	544	1	1
26	J Andrew Mccammon	2	598	1	1
26	Yinglong Miao	1	544	2	1
26	Manuel Sparta	1	544	1	1
26	Frank Neese	4	912	3	1
33	Rodrigo Galindo-Murillo	1	392	1	1
33	Jiřı́ Šponer	3	542	2	1
33	Michal Otyepka	3	519	2	1
33	Petr Jurečka	1	392	2	1
33	Thomas E Cheatham	2	518	1	1
33	Marie Zgarbova	1	392	2	1
39	Sarah Rauscher	1	368	1	1
39	Markus Zweckstetter	1	368	4	2
39	Helmut Grubmüller	1	368	2	1
39	Vytautas Gapsys	1	368	1	1
39	Bert L De Groot	1	368	3	2
44	Jean-Luc E Bredas	1	362	5	1
44	Haitao Sun	2	437	1	1
48	Wonpil Im	3	417	1	1
48	Jumin Lee	1	340	1	1
48	Yifei Qi	2	399	3	1
52	Kenneth M Merz Jr	4	395	1	1
52	Lin Frank Song	1	334	1	1
52	Pengfei Li	2	353	1	1
55	Florian Weigend	3	343	1	1
55	Lin Lin	2	352	1	1
55	Chao Yang	2	315	1	1
55	Jeffrey B Neaton	3	433	1	2
55	Fabio Caruso	1	280	2	1
55	Matthias Scheffler	1	280	4	2
55	Xinguo Ren	1	280	3	1
55	Patrick Rinke	1	280	2	1
55	Johannes Lischner	1	280	2	1
55	Michiel Jan van Setten	2	322	1	1
55	Steven G Louie	1	280	4	5
55	Ferdinand Evers	3	344	1	1
55	Sahar Sharifzadeh	2	343	1	1
68	Cristian Moya	1	274	1	1
68	Andreas Klamt	1	274	1	2
68	José Palomar	1	274	1	1
71	Marco Govoni	1	255	1	1
71	Giulia Galli	1	255	1	1
73	Edward J Maginn	1	249	3	1
74	Jaakko J Uusitalo	2	475	1	1
75	Manuel N Melo	1	236	1	1
75	Xavier Periole	1	236	1	1
75	Alex H De Vries	1	236	1	1
75	Marcelo F Masman	1	236	1	1
75	Clément Arnarez	1	236	1	1
80	Frank Jensen	1	235	1	2
81	Jan Řezáč	4	384	1	1
81	Maximilian Kubillus	2	269	1	1
81	Tomáš Kubař	2	280	1	1
81	Marcus Elstner	5	392	1	1
81	Michael Gaus	2	257	1	1
86	Carolina Cragnell	1	217	1	1
86	João Henriques	1	217	1	1
86	Marie Skepö	1	217	1	1
89	Xavier Blase	2	380	1	1
89	Denis Jacquemin	4	510	1	1
89	Ivan Duchemin	2	380	1	1
92	David Baker	1	204	8	7
92	Philip Bradley	1	204	1	2
92	Matthew J O'meara	1	204	1	1
92	Jack Scott Snoeyink	1	204	1	1
92	Amelie Stein	1	204	1	1
92	Frank DiMaio	1	204	4	4
92	Tanja Kortemme	1	204	1	1
92	Michael D Tyka	1	204	1	1
92	Andrew Leaver-Fay	1	204	1	1
92	Brian Kuhlman	1	204	2	3
102	Sebastian Ehlert	3	312	1	3
102	Stefan Grimme	3	312	1	2
105	Massimiliano Bonomi	3	336	1	1
122	Cecilia Clementi	2	227	1	1
123	Eberhard K U Gross	3	197	2	1
133	Sergio Pantano	2	167	1	1
133	Matías Rodrigo Machado	2	167	1	1
145	Samer Gozem	2	165	1	1
145	Massimo Olivucci	3	190	1	1
152	Peter V Coveney	2	157	1	1
157	Michael Grabe	2	141	1	1
163	Hans-Joachim Werner	2	185	2	1
166	Tristan Bereau	2	208	1	1
168	David van der Spoel	3	192	1	1
174	Vijay S Pande	3	134	2	4
178	Carlo Adamo	2	134	1	1
178	Erik R Lindahl	3	189	1	3
178	Benedetta Mennucci	7	339	1	1
188	Donald G Truhlar	6	360	1	2
188	Ferruccio Palazzesi	2	118	1	1
193	Luca Muccioli	2	125	1	1
193	Yoan Olivier	2	125	1	3
193	Mónica Moral	2	125	1	1
193	Juan C Sancho García	4	195	1	1
205	Vicenzo Barone	9	448	1	1
205	Camille Latouche	3	140	1	1
205	Dimitrios Skouteris	2	123	1	1
213	Christian Ochsenfeld	3	124	1	4
215	İlyas Yildirim	2	119	1	1
220	Christopher Cramer	2	168	2	5
220	Kenneth Lopata	2	136	1	1
220	Niranjan Govind	5	327	1	1
224	Michael Gilson	2	132	1	1
224	Niel M Henriksen	2	132	1	1
224	Andrew T Fenley	2	132	1	1
224	Michael K Gilson	2	132	1	1
228	Emanuele Penocchio	2	170	1	1
231	Jay W Ponder	2	119	1	2
231	Jean-Philip Piquemal	3	191	1	1
231	Qiantao Wang	2	119	1	1
231	Pengyu Ren	4	217	1	1
231	Louis Lagardère	4	236	1	1
241	Xiaosong Li	2	170	2	1
241	Marco Caricato	3	125	1	1
241	Patrick J Lestrange	2	170	1	1
247	Laura Gagliardi	5	261	2	4
247	Nathan Luehr	2	137	2	2
247	Rebecca K Carlson	3	173	2	2
247	Todd J Martinez	3	184	2	2
254	Matthew B Goldey	2	107	1	2
254	Martin Head-Gordon	4	171	2	4
254	Andreas Hansen	2	124	1	3
263	Pavel Hobza	5	237	1	1
263	Giovanni Bussi	2	118	2	2
269	Walter Thiel	2	125	3	2
269	Adrian H Elcock	4	135	1	1
291	Benoı̂t Roux	5	176	1	2
291	Benoit Roux	5	176	1	2
298	Kasper Kristensen	2	127	1	1
298	Patrick Ettenhuber	2	91	1	1
304	Ken A Dill	2	145	3	2
304	alberto Perez	2	134	1	2
310	Jochen Autschbach	2	107	2	3
310	Julien Bloino	3	193	1	1
316	Bryan M Wong	2	142	1	1
317	Stanislav Komorovsky	2	104	2	1
317	Michal Repisky	2	104	2	2
317	Kenneth Ruud	4	144	1	2
327	Paolo Carloni	2	85	2	1
334	Jiří Mareš	2	121	1	1
334	Hilke Bahmann	2	123	1	1
334	Juha Vaara	3	133	1	1
334	Gerhard Stock	2	99	2	2
334	Syed Awais Rouf	2	121	1	1
334	Martin Kaupp	3	136	1	1
348	Ivo Cacelli	2	77	1	1
348	Giacomo Prampolini	3	143	1	1
353	Andrew M Teale	2	104	1	1
353	Trygve Helgaker	2	104	1	1
353	Roberto Improta	2	76	2	3
361	Philippe Derreumaux	2	126	1	3
361	Carles Curutchet	4	171	1	1
361	Daniel Gryko	2	106	5	6
361	Yuki Kurashige	2	82	1	3
392	Giovanni Li Manni	2	110	1	1
395	So Hirata	2	81	2	2
395	Fabio Sterpone	2	101	2	3
402	Ya-Jun Liu	2	110	1	1
418	Adri van Duin	2	65	2	8
436	Fabio Pietrucci	2	61	1	2
436	Thomas Heine	2	97	3	11
446	Gábor I Csonka	4	108	1	1
446	Pal D Mezei	4	108	1	1
446	Mihaly Kallay	2	73	2	2
446	Adrienn Ruzsinszky	3	89	1	3
462	Filippo Lipparini	3	143	1	1
462	Michael J Schnieders	2	98	1	1
462	Benjamin Stamm	3	143	1	1
466	Hui Chen	2	97	2	3
476	Nanna Holmgaard List	2	89	1	2
476	Jacob Kongsted	4	150	1	2
480	Yu Zhang	2	60	1	1
480	Gregory A Voth	3	93	2	6
480	Shaul Mukamel	3	87	2	3
492	Konstantinos D Vogiatzis	2	80	2	3
530	Shu-Hua Li	2	65	1	1
543	Christel M Marian	2	73	1	3
548	Carmen Domene	3	67	1	2
548	Lluís Blancafort	2	76	1	1
548	Edgar Núñez-Rojas	2	65	1	1
548	Masahiro Ehara	2	74	1	2
548	Michael A Robb	2	57	1	2
548	Jose Alejandre	2	65	1	1
560	Qiang Cui	2	72	1	5
560	Michele Parrinello	4	97	1	3
560	Marielle Soniat	2	72	1	1
560	Leonardo Guidoni	3	81	1	2
560	Lucas Visscher	2	58	1	1
560	Emanuele Coccia	2	60	1	1
579	Marco Garavelli	2	68	2	2
579	Akio Kitao	2	53	1	1
603	K V Jovan Jose	2	79	1	1
603	Wolfgang Wenzel	2	78	1	2
603	Patrice Malfreyt	2	64	1	1
603	Aziz Ghoufi	2	64	1	2
603	Krishnan Raghavachari	3	113	1	2
619	Adam Liwo	2	57	1	1
619	Robert Zalesny	2	53	1	1
619	Adam K Sieradzan	2	57	1	1
619	Erin Johnson	2	61	2	2
638	Alexander D Mackerell	4	101	2	7
638	Mingjun Yang	2	73	1	1
638	Liao Y Chen	2	72	1	1
663	Diogo Vila-Viçosa	2	66	1	1
663	Miguel Machuqueiro	2	66	1	1
663	Toru Shiozaki	2	51	1	2
663	Vítor H Teixeira	2	66	1	1
663	Edward F C Byrd	2	72	1	1
663	António M Baptista	2	66	1	1
663	Betsy M Rice	2	72	1	1
663	N Scott Weingarten	2	72	1	1
663	James P Larentzos	2	72	1	1
685	Daniel H Friese	2	40	1	3
685	Darrin M York	3	64	2	4
685	Timothy J Giese	2	54	1	1
698	Huai Sun	2	48	1	1
717	David J Wales	3	56	2	4
717	Bernard R Brooks	2	48	1	5
717	Juyong Lee	2	48	1	1
717	Oded Hod	2	61	1	1
735	Charles L Brooks	2	45	2	4
735	Julien Michel	2	54	1	2
735	Russo Nino	2	48	2	5
779	Liel Sapir	2	42	1	2
779	Daniel Harries	2	42	1	3
779	Olga V Kalinina	2	35	1	2
779	Thomas Lengauer	2	35	1	1
779	Mazen Ahmad	2	35	1	1
837	Fan Jiang	2	50	1	2
837	Yun-Dong Wu	2	50	1	6
855	Anders M N Niklasson	3	51	1	1
865	Silvana Botti	2	46	1	4
865	Miguel A L Marques	2	46	1	5
885	Anna Tramontano	2	25	2	5
909	Matteo Barborini	3	57	1	1
909	Robert B Best	2	35	2	5
909	Marc Cawkwell	2	25	1	3
922	Roman A Laskowski	2	34	1	2
922	Jiří Hostaš	2	34	1	1
922	Neil Qiang Su	2	36	1	1
922	Xin Xu	2	36	1	3
922	Jiří Vondrášek	2	34	1	1
922	Alán Aspuru Guzik	2	33	2	14
922	David Jakubec	2	34	1	1
922	Thomas K Haxton	2	24	1	3
956	Ruge Quhe	2	30	1	4
956	Pratyush Tiwary	2	30	1	4
956	Marco Nava	2	30	1	1
1000	Zheng Zheng	2	34	1	2
1024	Julie Anne Harris	2	32	1	1
1024	Giovanni Scalmani	2	30	1	1
1024	B Montgomery Pettitt	2	30	1	2
1036	Aatto I Laaksonen	2	23	3	4
1066	Dan Fraenkel	2	29	1	1
1066	Sergio Paz	2	25	1	1
1066	Shuxiang Li	2	29	1	1
1066	S Alexis Paz	2	25	1	1
1095	Ramón Hernández-Lamoneda	2	21	1	1
1125	Ramon Costa i Sala	2	27	1	1
1125	Ibério De P R Moreira	2	27	1	2
1125	Philippe H Hünenberger	2	26	2	1
1125	Daniel Reta	2	27	1	2
1125	Francesc Illas Riera	2	27	2	9
1161	Henry F Schaefer	2	15	6	11

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