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 citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Sebastian Ehlert	1	1,072	8	2
1	Stefan Grimme	1	1,072	9	2
1	Philip Shushkov	1	1,072	1	1
1	Christoph Bannwarth	1	1,072	4	1
5	Robert M Parrish	2	1,046	1	1
6	Francesco A Evangelista	3	1,044	1	1
7	Vikram Khipple Mulligan	1	1,032	2	1
7	Jeffrey J Gray	1	1,032	1	1
7	Rhiju Das	1	1,032	2	1
7	Roland L Dunbrack	1	1,032	2	1
7	David Baker	1	1,032	7	2
7	Michael S Pacella	1	1,032	1	1
7	Philip Bradley	1	1,032	1	1
7	Kalli Kappel	1	1,032	2	1
7	Jason W Labonte	1	1,032	1	1
7	Matthew J O'meara	1	1,032	1	1
7	Hahnbeom Park	1	1,032	1	1
7	Tanja Kortemme	1	1,032	1	1
7	Rebecca F Alford	1	1,032	1	1
7	Jeliazko R Jeliazkov	1	1,032	1	1
7	Richard A Bonneau	1	1,032	1	1
7	Andrew Leaver-Fay	1	1,032	1	1
7	Brian Kuhlman	1	1,032	1	1
24	C David Sherrill	3	1,026	1	1
25	Masaaki Saitow	2	1,009	1	1
25	Lori A Burns	2	1,009	1	1
27	Edward G Hohenstein	3	1,004	1	1
28	Henry F Schaefer	4	1,003	1	1
29	Justin M Turney	3	986	1	1
30	Andrew C Simmonett	2	980	1	2
31	A Eugene Deprince, Iii	2	975	1	1
32	T Daniel Crawford	2	971	1	1
33	Andrew M James	1	961	1	1
33	Ashutosh Kumar	1	961	1	1
33	Ashutosh Kumar	1	961	1	1
33	Daniel G A Smith	1	961	1	1
33	Edward F Valeev	1	961	2	1
33	Rollin A King	1	961	1	1
33	Jérôme F Gonthier	1	961	1	1
33	Xiao Wang	1	961	2	3
33	Konrad Patkowski	1	961	1	1
33	Uğur Bozkaya	1	961	1	1
33	Roberto Di Remigio	1	961	1	1
33	Xiao Wang	1	961	1	1
33	Benjamin P Pritchard	1	961	1	1
33	Alexander Yu Sokolov	1	961	1	1
33	Ryan M Richard	1	961	1	1
48	Frank Neese	4	503	3	2
49	Sandeep Sharma	4	466	1	1
50	O Anatole Von Lilienfeld	1	435	2	1
50	Felix A Faber	1	435	1	1
50	David L Mobley	1	435	1	1
50	Bing Huang	1	435	1	1
50	Patrick F Riley	1	435	1	1
50	Steven M Kearnes	1	435	1	1
50	Steven Kearnes	1	435	1	1
57	Alexander A Auer	2	429	1	1
58	Benoı̂t Roux	5	414	1	1
58	Benoit Roux	5	414	1	1
60	Georgi L Stoychev	1	384	1	1
62	Garnet Chan	4	369	1	1
63	Adam A Holmes	2	363	1	1
64	Thomas A Niehaus	3	362	1	1
65	Markus Reiher	6	359	1	2
66	Mario Barbatti	3	309	1	1
67	Bin Li	1	296	1	1
67	Orlando Acevedo	1	296	1	1
67	Brian W Doherty	1	296	1	1
67	Symon Gathiaka	1	296	1	1
67	Brian Doherty	1	296	1	1
72	Qiming Sun	2	290	1	1
73	Ali Alavi	2	287	1	1
74	Walter Thiel	2	283	4	1
75	Christophe Chipot	4	265	1	1
76	Shuming Bai	2	263	1	1
77	Richard A Friesner	3	261	1	1
78	Carmay Lim	1	259	1	1
79	Christian Ochsenfeld	8	253	1	2
80	Xing Gao	1	249	1	1
80	Daniele Fazzi	1	249	1	1
80	Thomas Niehaus	1	249	1	1
83	Alexander D Mackerell	4	246	1	4
84	Donald G Truhlar	7	243	1	4
85	Vicenzo Barone	9	239	1	1
86	Cyrus Umrigar	1	232	1	1
86	Guillaume Jeanmairet	1	232	1	1
86	C J Umrigar	1	232	1	1
91	Max Schwilk	2	213	1	1
91	Hans-Joachim Werner	2	213	1	1
93	Giovanni Scalmani	5	210	1	1
94	Toru Shiozaki	2	209	1	1
94	Jae Woo Park	2	209	1	1
96	Vijay S Pande	3	197	2	4
97	Peter V Coveney	3	187	1	1
98	Ángel Rubio Secades	2	182	4	4
98	Angel Rubio	2	182	3	4
100	Haiyang Zhang	1	180	2	1
100	David van der Spoel	1	180	1	1
100	Jin Zhang	1	180	1	1
103	Rommie E Amaro	2	175	1	2
104	Gerald Knizia	2	174	1	1
105	Klaus Schulten	2	172	1	1
106	Timothy C Berkelbach	1	171	2	2
107	Jeffrey R Wagner	1	169	1	1
108	Gerhard Hummer	3	167	1	2
109	Martin Head-Gordon	4	163	2	5
110	Shunzhou Wan	2	160	1	1
110	Agastya P Bhati	2	160	1	1
112	Brian K Radak	2	151	1	1
113	Gerrit Groenhof	2	150	1	1
114	Benedetta Mennucci	3	149	1	2
115	Stefan Knecht	2	148	1	1
116	Wei Li	3	147	1	1
117	Todd J Martinez	3	145	2	5
118	Felix Plasser	4	144	1	1
119	Mohammad M Sultan	1	142	1	2
119	Lingle Wang	2	142	1	3
119	Martti J Puska	2	142	2	2
119	Robert Abel	2	142	1	2
119	Yujie Wu	2	142	1	1
124	Jean-Philip Piquemal	3	141	1	1
125	Wei Jiang	1	139	1	1
125	James C Phillips	1	139	1	1
125	Sunhwan Jo	1	139	2	2
125	Donghyuk Suh	1	139	1	1
129	Roi Baer	3	138	1	1
129	Alessandro Erba	1	138	2	1
129	Roberto Dovesi	1	138	2	1
129	Jonathan W Essex	3	138	1	1
129	Daniel Neuhauser	3	138	1	1
134	Justin A Lemkul	2	137	1	1
135	Panagiotis E Theodorakis	1	136	1	1
135	Michal Otyepka	3	136	1	4
135	Adolfo B Poma	1	136	1	1
135	Marek Cieplak	1	136	3	1
139	Denis Jacquemin	3	135	2	2
142	Jan Řezáč	3	131	1	1
145	Andreas Dreuw	4	129	1	1
146	David W Wright	2	128	1	1
146	David W Wright	2	128	1	1
146	Franco Egidi	3	128	1	1
149	Erin Johnson	3	127	1	2
149	Leon Freitag	2	127	1	1
153	Chao Yang	4	126	1	2
153	Alberto Otero de la Roza	4	126	1	3
155	Victor S Batista	2	125	5	6
159	Bernard R Brooks	2	124	1	2
159	Frank C Pickard Iv	2	124	1	1
164	Georg Kresse	2	122	2	2
164	Gregory A Voth	4	122	2	4
164	Emanuele Maggio	2	122	1	1
167	Oliviero Andreussi	2	121	1	2
168	Alberto Baiardi	4	119	1	1
170	David A Dixon	3	118	3	2
172	Jiřı́ Šponer	4	117	1	2
172	Joseph A Morrone	2	117	1	1
172	Ken A Dill	2	117	1	3
172	alberto Perez	2	117	1	1
172	Luigi Genovese	3	117	1	1
185	Ulf Ryde	2	115	1	1
185	Heather J Kulik	2	115	2	3
185	Lukas S Stelzl	2	115	1	1
185	Louis Lagardère	2	115	1	1
191	Jörg Kussmann	4	114	1	1
192	Leticia Gonzalez	3	112	2	5
192	Lin Lin	3	112	1	2
192	Wei Hu	3	112	1	3
199	Andreas Köhn	2	108	1	1
200	Francesc Illas Riera	2	107	3	5
201	Junwei Lucas Bao	3	106	1	5
202	Maria Belen Oviedo	2	105	1	1
202	Bryan M Wong	2	105	1	2
202	Darrin M York	2	105	1	1
202	Tai-Sung Lee	2	105	1	1
210	Stefano Caprasecca	2	104	1	1
211	Xiaosong Li	3	103	1	2
211	Sheng Guo	2	103	1	3
216	Daniele Licari	3	102	1	1
217	Chiara Cappelli	2	101	1	1
217	Tommaso Giovannini	2	101	1	1
223	Michael Gilson	2	100	2	3
223	Niel M Henriksen	2	100	1	2
223	Michael K Gilson	2	100	2	3
226	Sebastian Mai	3	99	2	2
227	Michiel Jan van Setten	2	98	1	2
227	Eran Rabani	2	98	1	1
227	Veronique Van Speybroeck	2	98	2	5
230	Pengyu Ren	3	96	1	2
231	Monica Vasiliu	2	95	2	2
231	Mihaly Kallay	3	95	1	2
231	Kirk A Peterson	2	95	2	2
234	Celestino Angeli	2	94	1	1
235	Wen-Sheng Cai	2	93	1	1
235	Haohao Fu	2	93	1	1
240	Fernando Martin	3	92	3	2
245	David Dubbeldam	3	91	1	1
246	Michele Parrinello	2	90	3	4
246	Yury Minenkov	2	90	1	1
246	Xavier Blase	2	90	1	2
246	Luigi Cavallo	2	90	5	10
246	Ivan Duchemin	2	90	1	2
252	Barira Islam	2	89	1	2
252	Petr Stadlbauer	2	89	1	1
257	Gábor I Csonka	3	88	1	1
257	Filippo Lipparini	2	88	1	1
257	Adrian H Elcock	3	88	1	1
261	Hannes Jónsson	3	87	2	3
261	Jacob Kongsted	5	87	1	1
276	Nicola Tasinato	2	84	1	1
278	Christoph Riplinger	2	83	1	2
278	Marcus Elstner	2	83	1	1
298	Craig P Plaisance	2	80	1	2
299	Zhendong Li	2	79	1	1
299	Xiao He	2	79	1	3
301	ali Poursaeidesfahani	2	78	1	1
301	Laurence E Fried	2	78	1	1
301	Nir Goldman	2	78	1	1
301	Thijs J H Vlugt	2	78	2	2
306	Jógvan Magnus Haugaard Olsen	4	76	1	1
311	Shiwei Zhang	2	74	2	4
314	Christine Isborn	2	73	1	1
314	Pal D Mezei	2	73	1	1
316	Martial Boggio-Pasqua	2	72	1	1
316	Ines Corral	2	72	1	1
316	Jesus Gonzalez-Vazquez	2	72	1	1
322	Kai Leonhard	2	70	1	2
322	Christine Peter	2	70	1	1
322	Leif C Kröger	2	70	1	1
326	Pavel Hobza	2	69	2	1
327	Gabriele Raabe	2	68	2	1
330	Raimondas Galvelis	2	67	1	1
330	Andrew M Teale	2	67	1	1
330	Yuji Sugita	2	67	3	3
330	Piero Procacci	3	67	1	1
330	Riccardo Chelli	3	67	1	1
345	Alan E Mark	2	66	1	1
345	Emily Ann Carter	4	66	1	6
345	Mark S Miller	2	66	1	1
345	Nicholas P Brawand	2	66	1	2
345	Richard W Pastor	2	66	1	3
345	Giulia Galli	2	66	3	6
345	Martin Stroet	2	66	1	1
345	Marton Voros	2	66	1	3
355	Karol Kowalski	2	65	1	1
355	Giovanni Bussi	2	65	1	3
357	Eric Neuscamman	3	64	1	1
358	Laura Gagliardi	2	63	7	11
358	Julien Bloino	2	63	1	1
360	Shu-Hua Li	2	62	1	3
365	Ursula Röthlisberger	3	61	2	3
365	Xiao-Gen Xiong	2	61	1	1
365	Takeshi Yanai	2	61	1	1
377	Bun Chan	2	59	1	2
377	Hui Li	2	59	1	1
377	Adam Grofe	2	59	1	1
377	Jiali Gao	2	59	1	1
377	Ze-xing Qu	2	59	1	1
384	Ulrich Kleinekathöfer	2	57	3	4
384	Gunnar Schmitz	3	57	1	1
390	Scott Habershon	2	56	1	1
391	Frederick R Manby	2	55	1	1
391	Angela K Wilson	2	55	1	2
391	Thomas F Miller Iii	2	55	1	3
391	Feizhi Ding	2	55	1	2
401	Nese Kurt-Yilmaz	2	54	1	2
401	Celia A Schiffer	2	54	1	3
439	Yasuteru Shigeta	2	51	2	2
439	Christof Hattig	2	51	1	1
447	Teresa Head-Gordon	2	50	1	6
447	Dominika Zgid	2	50	1	3
447	Olga Lopez-Acevedo	2	50	1	1
458	Steven E Wheeler	2	49	1	2
458	Karsten Reuter	2	49	2	8
458	Nicolas Ferré	3	49	1	1
458	Sandra Luber	3	49	1	2
470	Holger Gohlke	2	48	1	3
487	YIhan Shao	2	47	1	2
487	Jochen Autschbach	3	47	1	7
511	Chris -Kriton Skylaris	3	45	1	5
538	Lina J Nåbo	2	43	1	1
538	Hans Lischka	2	43	2	1
555	Casper Steinmann	3	41	1	1
555	Timothy Gould	2	41	1	2
555	Maria J. Ramos	2	41	1	8
555	Fabien Bruneval	2	41	1	2
555	Stephan Mohr	2	41	1	2
555	Pedro Alexandrino Fernandes	2	41	1	7
555	Pedro A Fernandes	2	41	1	5
584	Qiang Shao	3	40	1	1
584	J Ilja Siepmann	2	40	1	5
603	Andrea Grafmueller	2	39	1	2
603	Gino A Dilabio	2	39	1	1
618	Gregory J O Beran	2	38	1	1
618	Jacek Dziedzic	2	38	1	1
628	David J Wales	2	37	4	8
628	David B Williams-Young	2	37	1	2
634	David d L Minh	2	36	1	1
641	Florian Libisch	2	35	1	2
641	Wei-Liang Zhu	2	35	2	5
641	Joachim Dzubiella	2	35	1	6
641	Kuang Yu	2	35	1	1
641	Michael Feig	2	35	1	5
655	Juha Vaara	2	34	1	1
655	Syed Awais Rouf	2	34	1	1
655	Anton V Sinitskiy	2	34	1	1
684	Jianing Li	2	33	1	2
684	Ignacio Fdez Galván	2	33	1	3
684	Benjamin G Janesko	2	33	1	2
712	Ray Luo	2	32	1	4
730	Imre Bakó	2	31	1	1
730	István Mayer	2	31	1	1
730	Alfredo Pasquarello	2	31	1	3
773	Jakob S Kottmann	2	29	1	1
773	Florian Andreas Bischoff	2	29	1	2
781	Martin Zacharias	2	28	2	7
781	Marco Caricato	2	28	1	2
781	Gianni Cardini	2	28	1	1
781	Marco Pagliai	2	28	1	2
781	Victor V Volkov	2	28	1	1
798	Thomas Körzdörfer	2	27	1	1
854	Tim Clark	2	25	3	12
854	Dmitry I Sharapa	2	25	1	2
901	James T Kindt	2	24	1	1
901	Lara A Patel	2	24	1	1
926	Thomas Simonson	2	23	1	2
926	Cristina García-Iriepa	2	23	1	5
926	Diego Sampedro	2	23	1	4
965	Dage Matts Börje Sundholm	2	21	2	6
965	Dage Sundholm	2	21	2	6
1053	Kim Baldridge	2	18	2	6
1053	Bin Chen	2	18	1	1
1053	Leonardo Guidoni	2	18	1	2
1053	Troy David Loeffler	2	18	1	1
1212	Adam S Foster	2	14	1	7
1212	Piotr Setny	2	14	1	2

Scientometrics

Overviews

Citing Bodies

Journal of Chemical Theory and Computation

Top Authors (by citations)