Journal of Chemical Theory and Computation

5.5(top 5%)

impact factor

9.3K(top 2%)

papers

435.1K(top 1%)

citations

235(top 1%)

h-index

5.6(top 5%)

extended IF

10.0K

all documents

467.9K

doc citations

439(top 1%)

g-index

Top Authors (by citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Donald G Truhlar	165	19,593	2	3
2	Berk Hess	5	18,531	2	2
3	David Van Der Spoel	14	15,587	1	1
4	Erik Lindahl	6	15,469	4	2
5	Carsten Kutzner	3	14,315	1	1
6	Carlos Simmerling	21	10,606	1	1
7	Thomas E Cheatham	19	9,389	1	1
8	Lauren Wickstrom	6	8,205	1	1
9	Yan Zhao	18	8,179	2	3
10	Siewert J Marrink	30	7,725	2	2
11	Alexander D Mackerell	49	7,365	1	2
12	Frank Neese	59	7,101	4	5
13	Stefan Grimme	20	6,965	7	4
14	Denis Jacquemin	61	6,433	1	1
15	Jean-philip Piquemal	44	6,316	1	1
16	Carlo Adamo	36	6,176	4	2
17	D Peter Tieleman	20	6,155	2	1
18	William Jorgensen	28	6,091	2	3
19	Daniel R Roe	5	5,952	1	1
20	Pavel Hobza	42	5,809	2	3
21	Richard A Friesner	35	5,783	1	2
22	Adrian E Roitberg	23	5,546	1	2
23	Andreas W Götz	14	5,039	1	1
24	Robert B Best	13	5,007	4	1
25	Jan H Jensen	6	4,999	7	2
26	Benoît Roux	50	4,890	1	3
27	Vincenzo Barone	85	4,846	1	5
28	Lingle Wang	20	4,802	1	1
29	Jiří ŠPoner	52	4,686	1	1
30	Alexander D Mackerell	3	4,650	6	1
31	Jeetain Mittal	5	4,600	6	1
32	Michal Otyepka	41	4,589	1	2
33	Pedro E M Lopes	4	4,521	1	1
34	Xavier Periole	6	4,495	1	1
35	Jan ŘEz	30	4,452	1	1
36	Edward D Harder	10	4,436	1	1
37	Michael Feig	13	4,407	4	3
38	Wonpil Im	23	4,329	3	2
39	Vijay S Pande	13	4,205	2	1
40	Weitao Yang	24	4,089	2	5
41	Xiao Zhu	5	4,018	2	1
42	David A Case	10	3,978	7	5
43	Jumin Lee	7	3,923	1	1
44	Yifei Qi	9	3,919	6	1
45	Julia Contreras-garcía	11	3,911	2	2
46	Erin R Johnson	15	3,557	2	3
47	Jeffery B Klauda	9	3,552	3	2
48	Holger Gohlke	11	3,456	5	2
49	C David Sherrill	21	3,453	3	3
50	Charles L Brooks	17	3,371	5	2
51	Todd J Martínez	32	3,327	3	3
52	Kenneth M Merz	49	3,297	2	3
53	Christoph Bannwarth	5	3,294	4	1
54	Xi Cheng	2	3,220	4	1
55	Marcus Elstner	27	3,210	1	1
56	Sebastian Ehlert	11	3,154	6	5
57	Petr Jurečka	20	3,133	1	1
58	Jingjing Zheng	10	3,131	1	1
59	Martin Head-gordon	64	3,111	2	7
60	David N Beratan	4	3,101	11	2
61	Markus Reiher	46	3,087	2	3
62	Sunhwan Jo	5	3,057	3	2
63	Justin A Lemkul	4	3,013	4	1
64	Marie Zgarbov	15	2,933	1	1
65	Tsjerk A Wassenaar	7	2,929	1	1
66	Min Sun Yeom	3	2,924	1	1
67	Robert Abel	6	2,877	1	1
68	Qingyun Liu	1	2,842	33	1
69	Benedetta Mennucci	38	2,841	1	3
70	Ilaria Ciofini	15	2,806	5	1
71	Jean-claude Twizere	1	2,741	11	2
72	Dimitrios A Pantazis	15	2,726	2	1
73	Laura Gagliardi	52	2,639	3	2
74	Jochen Autschbach	43	2,637	1	2
75	Pengyu Ren	25	2,586	1	2
76	Walter Thiel	34	2,567	4	4
77	Pavel Ban	21	2,517	1	1
78	Edward G Hohenstein	14	2,513	2	3
79	Frank No	17	2,492	2	2
80	J Andrew Mccammon	24	2,484	5	5
81	Luca Monticelli	5	2,476	3	1
82	Jochen S Hub	10	2,414	1	1
83	Kevin E Riley	10	2,373	1	1
84	Alan E Mark	12	2,346	3	4
85	Roland Lindh	33	2,340	1	4
86	Ivan S Ufimtsev	6	2,266	1	1
87	Ronald G Larson	1	2,250	21	1
88	O Anatole Von Lilienfeld	17	2,248	2	3
89	Christopher J Cramer	16	2,228	6	7
90	Chris Oostenbrink	18	2,221	3	2
91	Lars Goerigk	11	2,209	1	3
92	John D Chodera	18	2,187	1	3
93	Rainer A Böckmann	6	2,184	2	1
94	Michele Parrinello	31	2,178	3	9
95	Julian Tirado-rives	11	2,171	2	3
96	Julien Bloino	19	2,160	2	1
97	Christophe Chipot	33	2,098	1	3
98	Leeor Kronik	20	2,066	3	2
99	Massimo Olivucci	26	2,058	2	2
100	Gregory A Voth	52	2,044	4	5
101	Woody Sherman	8	2,004	2	3
102	Jay W Ponder	14	1,993	1	3
103	Francesco Paesani	26	1,971	2	1
104	Helgi I Ingólfsson	9	1,957	2	1
105	Henry F Schaefer	41	1,922	5	6
106	Martin Stroet	6	1,921	1	1
107	Alpeshkumar K Malde	8	1,907	1	1
108	David Poger	5	1,896	2	1
109	Leticia González	24	1,892	4	1
110	David Baker	6	1,868	23	12
111	Francesco Aquilante	15	1,829	2	2
112	Jan M L Martin	14	1,815	6	4
113	Ali Alavi	17	1,782	2	2
114	A Eugene Deprince	18	1,770	2	1
115	Aleksandr V Marenich	11	1,769	1	3
116	Qiang Cui	19	1,762	2	2
117	Lori A Burns	6	1,755	2	2
118	Alexandre Tkatchenko	18	1,746	3	4
119	Philip Bradley	3	1,743	1	1
120	Giovanni Li Manni	16	1,731	1	1
121	Fabrizio Santoro	25	1,707	1	1
122	Dong Xu	1	1,702	17	2
122	Mark J Williamson	1	1,702	3	1
124	Bert L De Groot	10	1,683	3	4
125	Malgorzata Biczysko	10	1,665	4	1
126	Edward F Valeev	18	1,652	2	3
127	Darrin M York	31	1,638	1	1
128	Frank Jensen	24	1,623	2	2
129	Gustavo Scuseria	16	1,611	3	4
130	Francesco A Evangelista	18	1,606	2	2
131	Hahnbeom Park	3	1,595	2	3
132	Kristine Pierloot	11	1,564	2	1
133	Ulf Ryde	29	1,557	1	3
133	Jürg Hutter	15	1,557	2	5
135	Michael R Shirts	28	1,549	1	3
136	David L Mobley	27	1,548	2	3
137	Vikram Khipple Mulligan	2	1,532	4	1
138	K N Houk	9	1,531	15	6
139	Jiali Gao	25	1,520	1	2
140	Pramod C Nair	2	1,506	3	1
141	Roi Baer	17	1,502	2	3
142	Philipp Marquetand	6	1,501	4	1
143	Masaaki Saitow	6	1,490	2	1
144	Rhiju Das	2	1,470	17	4
145	Garnet Kin-lic Chan	25	1,463	2	2
146	Sebastian Mai	11	1,462	3	1
146	Xiaosong Li	39	1,462	2	2
148	Mariusz P Mitoraj	2	1,459	10	1
148	Artur Michalak	2	1,459	8	1
150	Oleg V Prezhdo	8	1,452	12	7
151	Lars V Schäfer	7	1,449	3	1
152	Olgun Guvench	4	1,443	1	1
153	Felix Plasser	13	1,438	2	3
154	Pengfei Li	9	1,436	1	1
155	Jacob Kongsted	46	1,433	1	2
156	Yinglong Miao	10	1,412	2	1
157	Gerald Knizia	9	1,403	2	3
157	Ryan M Richard	6	1,403	3	3
159	Pierre-françois Loos	33	1,397	2	1
160	Andrew C Simmonett	12	1,383	3	3
161	Qin Wu	4	1,381	3	2
162	Filippo Lipparini	31	1,377	1	1
163	Brian Kuhlman	3	1,367	14	4
164	Philippe H Hünenberger	27	1,365	1	4
165	Michael Bühl	9	1,361	3	1
166	Daniel G A Smith	6	1,357	2	1
166	Ken A Dill	20	1,357	3	8
168	Woodring E Wright	1	1,355	26	2
169	Rebecca K Carlson	7	1,342	1	2
170	Robert M Parrish	7	1,330	2	2
171	Matthew J O’meara	2	1,328	2	2
171	Tanja Kortemme	2	1,328	12	4
171	Lee-ping Wang	18	1,328	1	3
171	Andrew Leaver-fay	2	1,328	1	2
175	Quan Manh Phung	11	1,323	1	1
176	Guillermo Pérez-hernández	4	1,314	1	1
177	Igor Schapiro	8	1,306	1	2
177	Celestino Angeli	9	1,306	3	2
179	Giovanni Bussi	18	1,305	1	4
180	Denis Andrienko	11	1,301	2	2
181	Uğur Bozkaya	12	1,296	2	1
182	Modesto Orozco	22	1,291	4	6
183	Michal Pitoňák	10	1,270	1	2
184	Justin M Turney	11	1,269	2	1
185	Joost Vandevondele	9	1,264	3	4
185	Kristyna Pluhackova	4	1,264	1	1
185	Paul W Ayers	23	1,264	4	5
188	P Govoni	1	1,263	43	8
189	Callum J Dickson	3	1,246	2	1
190	Konrad Patkowski	7	1,241	2	2
191	Ian R Gould	2	1,225	4	2
192	Philip Shushkov	1	1,223	4	1
193	Matthias Scheffler	5	1,218	9	5
194	Andreas Dreuw	17	1,217	2	2
195	Xuefei Xu	13	1,215	1	1
196	Sason Shaik	19	1,214	6	7
197	Stefan Knecht	10	1,209	3	4
197	Alexey V Akimov	8	1,209	3	1
199	T Daniel Crawford	8	1,207	5	2
200	Roland L Dunbrack	2	1,195	17	5
201	Alexander Yu Sokolov	14	1,191	2	2
202	N Govind	15	1,184	2	3
203	Francesc Illas	21	1,179	7	6
204	Kwang S Kim	22	1,177	5	13
205	Giovanni Scalmani	26	1,173	1	3
206	Michael K Gilson	26	1,171	1	6
207	Richard W Pastor	14	1,169	4	4
208	Ignacio Fdez Galván	17	1,164	1	2
209	Ashutosh Kumar	4	1,158	1	1
210	Robin M Betz	2	1,153	1	1
211	Ngel Martín Pendás	8	1,146	8	2
212	Matthias Rupp	2	1,138	7	2
212	D G Liakos	5	1,138	1	2
214	Clark R Landis	2	1,133	11	4
215	Gábor I Csonka	17	1,132	1	3
216	Chuan Tian	3	1,130	1	1
217	Andrew M James	2	1,125	1	1
217	Rollin A King	2	1,125	2	2
219	Jeffrey J Gray	2	1,124	16	4
219	Rebecca F Alford	2	1,124	1	1
221	Bryan M Wong	16	1,121	1	1
222	Clémence Corminboeuf	13	1,119	3	2
222	Per ÅKe Malmqvist	3	1,119	4	5
224	Michael S Pacella	1	1,117	2	1
224	Kalli Kappel	1	1,117	6	1
224	Jason W Labonte	1	1,117	3	1
224	Jeliazko R Jeliazkov	1	1,117	4	1
224	Richard Bonneau	1	1,117	30	5
229	Christopher J Stein	5	1,116	1	1
230	John A Montgomery	2	1,113	6	2
231	Evelio Francisco	6	1,107	7	3
231	Knut Teigen	1	1,107	10	1
233	Anna I Krylov	20	1,102	5	5
234	He Huang	2	1,098	1	1
235	Manuel Sparta	8	1,084	1	1
236	Giulia Galli	20	1,083	1	3
237	Yu Takano	3	1,078	12	1
237	Xiao Wang	4	1,078	2	1
239	Roberto Di Remigio	4	1,075	2	1
240	Louis Lagardère	18	1,074	1	1
241	Mohammad Reza Saeb	1	1,068	50	2
241	Lauren Raguette	1	1,068	2	1
243	Jógvan Magnus Haugaard Olsen	27	1,066	1	3
244	Mickaël G Delcey	8	1,061	1	2
245	Michiel J Van Setten	9	1,057	2	3
246	Bun Chan	23	1,056	2	1
246	Orlando Acevedo	8	1,056	2	1
248	Alessio Valentini	7	1,054	1	2
249	Markus Meuwly	21	1,050	4	1
250	Thomas Heine	12	1,043	10	9
251	Philippe Derreumaux	10	1,038	4	4
251	Christian Ochsenfeld	45	1,038	2	6
253	Michel A Cuendet	4	1,037	2	2
254	Jérôme F Gonthier	3	1,020	2	1
254	Tamar Stein	2	1,020	3	2
256	Paul J Van Maaren	5	1,018	1	1
257	Luis Manuel Frutos	11	1,015	1	2
258	Pavlo O Dral	9	1,014	1	2
259	Fabian Paul	4	1,013	2	2
260	Benjamin P Pritchard	1	1,012	1	2
261	John M Herbert	22	1,008	2	4
262	Krishnan Raghavachari	35	1,007	1	3
263	Gregory R Medders	6	998	1	1
264	Claudia Filippi	19	996	1	1
265	Huaming Li	1	995	69	10
266	Helmut Grubmüller	16	987	2	4
267	Sivan Refaely-abramson	3	986	3	1
268	Thomas Frauenheim	16	981	7	7
269	Jeffrey B Neaton	9	972	7	8
270	Rommie E Amaro	11	970	3	2
271	Christoph Wehmeyer	2	969	2	1
272	Xavier Blase	13	957	1	3
273	Xiao He	14	956	1	2
274	Markus Oppel	3	953	1	1
274	Anthony J Stone	8	953	3	2
276	Ursula Rothlisberger	30	950	1	8
276	Moritz Hoffmann	1	950	2	1
278	Steven E Wheeler	9	945	4	2
279	Leon Freitag	6	940	1	1
280	Stephan N Steinmann	9	937	3	2
281	Michael L Klein	10	936	4	5
282	Lucas Visscher	22	932	2	2
283	Artur F Izmaylov	15	928	2	2
283	Pär Bjelkmar	1	928	3	2
283	Ivan Duchemin	12	928	1	1
286	Tomasz A Wesolowski	10	927	2	2
287	Veronique Van Speybroeck	24	914	2	7
288	Jie J Bao	6	911	1	1
289	Stefanie A Mewes	3	907	1	1
290	Oded Hod	11	906	1	2
291	Tangui Le Bahers	1	904	13	1
292	Michael Filatov	17	903	2	1
292	Ernesto Moreno	1	903	4	1
292	Pedro A Valiente	1	903	11	1
292	Mario E Valdés-tresanco	1	903	3	1
296	Sergey I Bokarev	7	902	2	1
296	Michele Ceriotti	19	902	2	5
298	Florian Weigend	11	899	6	5
299	Morgane Vacher	8	898	1	1
300	Lennart Nilsson	7	894	5	2
301	Sijia S Dong	7	890	1	1
302	Valera Veryazov	4	887	2	4
303	Mihály Kállay	30	885	2	2
304	Gregory R Bowman	7	884	1	2
305	Klaus Schulten	11	876	2	7
305	Noa Marom	9	876	1	1
307	Troy Van Voorhis	16	870	2	4
308	Guillaume Lamoureux	8	869	1	2
308	Martin Kaupp	30	869	3	5
310	Michael J Schnieders	11	867	1	2
311	Marcus Lundberg	4	865	3	1
311	Angelo Giussani	5	865	1	2
313	J Patrick Zobel	4	857	1	1
314	Mario Barbatti	18	853	4	4
315	Oskar Weser	5	851	1	1
315	Jean-luc Brédas	8	851	17	15
317	Liviu F Chibotaru	3	850	16	8
318	Rodrigo Galindo-murillo	5	847	1	1
319	Adrienn Ruzsinszky	15	843	2	4
320	Samer Gozem	11	842	1	1
321	Nicolas Ferr	23	841	1	2
321	Andrew M Sand	3	841	2	1
323	Alessandro Laio	13	838	1	6
323	Hans Lischka	9	838	10	7
323	James M Stevenson	4	838	1	1
326	Alberto Baiardi	21	836	1	2
327	Peter V Coveney	19	829	1	1
328	Kenneth Lopata	9	824	2	2
329	Lasse Kragh Sørensen	3	822	2	1
329	Meiyuan Guo	3	822	3	1
331	Kenneth Ruud	18	816	5	7
332	Alexander P Lyubartsev	7	812	4	3
333	Gregory A Ross	2	810	1	1
334	Gerhard Hummer	16	807	6	10
335	Chad E Hoyer	3	806	2	2
336	Kurt Kremer	10	805	6	7
337	Miguel A L Marques	15	802	4	7
338	Nathan Luehr	5	801	1	1
339	Liviu Ungur	2	800	13	7
339	Nike Dattani	2	800	1	1
341	Frédéric Gendron	3	798	4	1
342	José Elguero	9	797	33	13
343	Sonia Coriani	27	796	2	3
344	David S Sholl	5	795	12	10
345	Gilbert Grell	2	792	2	1
346	Lin Lin	14	786	1	1
347	Hannes Jónsson	21	784	2	9
347	Thomas A Manz	4	784	2	2
349	Amr A Nada	1	783	21	1
349	Katarina Roos	1	783	2	1
349	Sebastien Balme	1	783	12	1
352	Roberto Improta	13	776	4	3
353	Sergei Tretiak	26	772	3	13
353	Sergio Pantano	12	772	1	1
355	Hans-joachim Werner	14	771	5	7
356	Bernard R Brooks	21	770	2	6
357	Bálint Aradi	16	769	1	3
358	Alexander Zech	4	767	1	1
359	Satoshi Maeda	15	766	5	4
359	Lucian A Constantin	14	766	3	3
359	Qiming Sun	6	766	2	3
362	Björn Baumeier	13	764	1	1
363	Sairam S Mallajosyula	4	763	2	1
364	Carles Curutchet	11	762	1	2
365	Patrick Rinke	6	756	5	6
366	George A Petersson	4	755	2	1
366	Nikolay A Bogdanov	2	755	3	1
368	Leo Radom	14	753	7	8
368	Thomas Bondo Pedersen	12	753	2	4
370	Jeffrey Rogers	1	751	26	2
371	Marco Caricato	17	747	2	2
372	Prachi Sharma	2	746	1	1
373	Ciro A Guido	8	745	1	1
374	Alexey V Onufriev	16	743	2	6
375	Joonho Lee	19	737	1	2
375	Diptarka Hait	9	737	2	2
375	Thijs J H Vlugt	16	737	5	5
378	Kyle A Beauchamp	2	735	4	3
379	E Prabhu Raman	4	733	2	2
380	Adri C T Van Duin	13	732	5	8
381	Hui Chen	14	731	2	3
382	Michael J Robertson	3	730	2	2
382	Joel Creutzberg	2	730	1	1
384	Peter Eastman	5	729	1	2
385	Goran Kovačevi	1	724	5	1
385	Mihkel Ugandi	1	724	1	1
385	Jesper Norell	1	724	4	1
385	Haitao Sun	4	724	3	2
385	Marcus Johansson	1	724	1	1
385	Giovanni Bistoni	13	724	1	1
391	Gerrit Groenhof	8	720	1	3
391	Juan Carlos Sancho-garcía	15	720	2	2
393	Karol Kowalski	22	716	2	3
394	Daan P Geerke	8	712	1	2
395	Jeppe Olsen	5	710	2	3
396	Miquel Sol	12	706	12	10
397	Rosendo Valero	11	702	2	2
398	Marco Govoni	14	701	1	2
399	James C Gumbart	9	698	3	3
399	Alex H De Vries	7	698	1	3
401	Wei Jiang	8	697	1	2
402	Michiel Sprik	7	694	3	3
402	Giacomo Prampolini	24	694	1	1
402	Diwakar Shukla	6	694	4	2
402	F Matthias Bickelhaupt	11	694	11	10
406	Thomas F Miller	9	691	2	2
407	Zhi-pan Liu	9	690	7	8
408	Igor Vorobyov	3	689	4	2
408	Frank Dimaio	3	689	12	7
410	Joel M Bowman	16	686	4	6
411	C J Umrigar	5	684	3	3
412	G Andrés Cisneros	12	682	2	1
413	Mark S Gordon	28	680	3	12
413	Raghunathan Ramakrishnan	3	680	2	3
415	Angela K Wilson	10	679	4	6
416	Nicholas J Mayhall	21	673	1	3
417	Coen De Graaf	10	670	5	2
418	Ivano Tavernelli	12	668	1	5
419	Stephan Irle	16	666	5	6
420	Jeng-da Chai	2	664	11	4
421	Mark S P Sansom	12	661	11	15
422	Carl Caleman	2	660	10	3
423	Susi Lehtola	15	652	2	2
424	Adam Liwo	17	651	3	3
425	John P Perdew	8	649	7	9
425	Sang-jun Park	5	649	1	1
427	Thomas A Niehaus	11	646	2	2
428	Yirong Mo	11	645	4	6
429	Yihan Shao	19	644	2	5
430	Cheng Shang	8	643	1	1
431	Ric Brémond	11	640	2	2
431	Cesar A López	4	640	1	2
433	Luciano T Costa	1	633	6	1
433	Adrian H Elcock	17	633	1	3
435	Róbert Izsák	11	632	2	2
436	Victor S Batista	21	630	3	7
437	Vytautas Gapsys	8	627	2	1
438	Angel Rubio	21	625	7	18
439	Sandeep Sharma	12	623	1	1
440	Georgi L Stoychev	5	622	1	1
441	Daniel M Zuckerman	16	620	3	2
442	Michel Caffarel	7	619	2	4
443	Massimiliano Bonomi	9	617	2	4
443	Xing Gao	6	617	1	1
445	Jing Huang	8	615	1	3
446	Wenwei Zheng	2	613	7	1
446	Pedro A Fernandes	17	613	3	7
448	Joy P Ku	1	611	5	2
449	Christoph Junghans	6	608	2	1
450	Riccardo Baron	9	607	1	1
450	Marco Cavalli	1	607	7	1
452	Kwangho Nam	11	606	1	1
453	Nico F A Van Der Vegt	16	604	3	3
453	Peter Pulay	9	604	5	6
455	Edward J Maginn	9	603	6	10
456	Bruno A C Horta	9	601	1	1
457	Nino Russo	18	600	9	10
458	Denis Bucher	7	594	1	1
459	Joshua A Rackers	4	593	1	1
460	Emil Alexov	3	592	13	3
461	Pär Söderhjelm	8	591	1	1
462	Eduard Matito	16	590	2	4
463	Alston J Misquitta	11	589	1	3
464	Sarah Rauscher	4	587	1	2
465	Oliver T Unke	2	586	3	2
465	Petra Kührov	11	586	1	1
467	János G ÁNgyán	9	585	3	5
468	Javier Cerezo	10	584	1	1
469	Maria J Ramos	16	579	4	6
470	Seonghoon Kim	4	578	1	2
470	Teresa Head-gordon	21	578	2	8
472	Klaus-robert Müller	2	577	28	22
473	David J Tozer	11	575	5	6
473	Patrick Bultinck	12	575	5	4
475	Frederick R Manby	11	574	2	3
476	Alberto Perez	13	573	1	4
477	Johannes Kästner	13	572	2	4
477	Marie-pierre Gaigeot	8	572	2	2
477	Norm M Tubman	5	572	2	2
477	William A Goddard	7	572	21	24
481	Andreas Hansen	8	571	2	6
482	William C Swope	6	567	3	3
483	Emilio Gallicchio	11	565	1	2
484	Phillip J Stansfeld	7	563	7	4
485	Pratyush Tiwary	11	562	3	3
485	Pierre Tuffery	2	562	6	3
487	Paolo Carloni	19	561	1	1
488	Nohad Gresh	5	560	3	2
488	Leonardo Guidoni	20	560	1	1
490	Peter Politzer	4	558	19	15
491	Toon Verstraelen	14	556	1	2
492	Fabio Pietrucci	13	553	1	2
493	Julien Maupetit	1	552	4	2
493	Narbe Mardirossian	4	552	2	4
495	Seung Kyu Min	9	549	1	2
496	Martial Boggio-pasqua	9	548	2	2
497	Cecilia Clementi	10	547	2	6
497	Timothy J Giese	17	547	1	2
499	Troy W Whitfield	5	545	1	2
499	Jesús González-vázquez	5	545	4	1
501	Chao Yang	12	543	1	1
502	Berend Smit	14	542	4	17
503	Bing Huang	2	540	1	1
504	Bastien Mussard	6	539	1	2
505	Gerhard Stock	18	537	2	6
506	Filipp Furche	11	536	3	5
507	Roberto Peverati	6	535	2	6
507	Niel M Henriksen	10	535	1	1
509	Heather J Kulik	13	533	3	4
509	Gregory J O Beran	12	533	2	3
511	F Javier Luque	7	531	12	8
512	Joseph R Lane	2	530	10	2
512	K Birgitta Whaley	4	530	6	5
512	Dan Thomas Major	14	530	1	2
515	A Otero-de-la-roza	17	528	1	4
515	Chiara Cappelli	16	528	2	4
517	Abhik Ghosh	3	526	23	5
518	Ronald M Levy	11	523	2	4
518	Tobias Schwabe	6	523	2	3
520	Katharina Boguslawski	12	517	2	1
521	Chaok Seok	4	516	5	4
522	Grégoire Montavon	1	515	6	5
522	Siamac Fazli	1	515	9	2
524	Xinguo Ren	8	514	4	4
525	Eduardo Fabiano	13	513	3	2
525	Fabio Della Sala	12	513	3	6
527	Manuel N Melo	5	512	1	3
528	Jörg Behler	6	511	7	10
529	Jaroslav Koča	6	510	6	5
530	Jason D Goodpaster	6	509	1	3
531	Jaakko J Uusitalo	2	508	1	1
532	Matías R Machado	7	507	1	1
532	Sahar Sharifzadeh	4	507	2	2
534	Ilya G Ryabinkin	7	506	2	1
535	Omar Valsson	11	504	1	2
536	Haibo Yu	2	502	10	1
537	Toru Shiozaki	12	501	2	2
537	Susanna Monti	9	501	4	2
539	Tomáš Bučko	8	499	2	4
540	Chiara Cappelli	7	498	4	4
540	Shirley W I Siu	1	498	7	1
540	Tai-sung Lee	13	498	1	3
543	Francois Gygi	8	496	4	8
544	Thomas M Henderson	9	494	2	2
544	Miroslav Krepl	9	494	1	1
546	David J Wales	27	493	2	12
546	Chia-en A Chang	9	493	1	4
548	B J Gallop	2	492	27	8
548	Wenjian Liu	15	492	2	4
550	Xingyu Jiang	1	490	58	18
551	Yi Wang	8	489	1	3
552	Göran Widmalm	2	487	28	6
552	Justin B Gilmer	2	487	1	2
554	Henryk A Witek	6	485	3	2
555	Lin Frank Song	8	484	1	2
555	Tomáš Kuba	8	484	2	3
555	Dennis R Salahub	6	484	8	7
558	Douglas H Turner	8	483	3	6
559	Lin Li	2	482	6	1
559	Franco Egidi	12	482	1	1
559	Rafael Brüschweiler	8	482	4	5
562	Boris Le Guennic	9	481	10	6
563	Péter R Nagy	10	480	1	2
563	Roberto D Lins	6	480	1	2
565	Jianwei Sun	7	478	3	7
565	Radek Marek	11	478	5	2
565	Lorenzo Maschio	15	478	4	10
568	Alexander A Auer	6	477	2	3
569	Daniel Hollas	5	474	1	1
570	Peter M W Gill	15	473	3	9
571	Haoyu S Yu	4	471	1	2
572	Francisco J Avila	7	469	2	1
573	Sebastian Kozuch	2	468	13	7
574	Lillian T Chong	5	467	1	1
575	James C Phillips	5	466	1	5
575	Thomas Körzdörfer	7	466	2	3
575	Wensheng Cai	11	466	3	1
578	Barry Moore	6	464	1	1
578	Alexis T Bell	6	464	18	22
580	Felix A Faber	1	463	3	2
580	I Vai	1	463	49	7
580	Patrick Riley	1	463	2	2
580	Michelle L Coote	8	463	8	7
580	Steven Kearnes	1	463	3	2
585	Brian K Radak	10	462	1	2
585	Thomas Bredow	3	462	12	4
587	Mariusz Rado	8	461	2	1
587	Marie Skep	8	461	1	1
589	Anastassia N Alexandrova	8	458	10	7
589	David Dubbeldam	8	458	4	7
589	Alessandra Villa	4	458	2	2
592	Marialore Sulpizi	3	456	7	1
592	Wei Han	8	456	1	1
594	Marcel Swart	5	454	12	6
594	Stephan P A Sauer	15	454	3	4
596	Ilyas Yildirim	8	452	1	1
597	Petr Stadlbauer	8	451	1	1
598	Gerd Bruno Rocha	6	449	1	2
598	Xin Xu	13	449	5	6
600	Sarah L Price	8	448	5	8
601	Christopher N Rowley	5	447	2	2
601	Robert Sedlak	5	447	1	1
601	Yuki Kurashige	11	447	2	3
604	Michael E Harding	4	446	5	2
604	Sergey M Kozlov	2	446	7	4
604	Jumras Limtrakul	2	446	10	1
607	H Bernhard Schlegel	8	443	6	9
608	Ove Christiansen	12	442	5	7
608	Jeremy C Smith	10	442	10	13
610	Harold A Scheraga	10	440	9	11
611	Jonas Ståhle	1	437	4	1
611	Stefano Corni	13	437	3	4
611	Miguel A Valvano	1	437	34	10
611	Christine Peter	11	437	1	1
611	Chang-lae Kim	1	437	20	1
611	Martin Richter	1	437	3	1
617	Zhigang Shuai	8	436	9	17
618	Alexander A Auer	1	434	3	1
618	Silvana Botti	8	434	5	4
620	Shunzhou Wan	9	433	1	1
621	Andrea Cavalli	15	432	3	7
622	Lutz Maibaum	3	431	2	1
623	Teodoro Laino	5	430	1	4
623	Jane S Murray	3	430	13	10
625	Kęstutis Aidas	3	429	4	2
625	Dmitri G Fedorov	13	429	4	7
627	Henrik G Kjaergaard	1	428	20	9
627	Jonathan W Essex	17	428	1	4
629	Paul L A Popelier	14	427	4	4
629	Timothy C Berkelbach	13	427	2	9
631	Cristina Puzzarini	9	426	9	6
632	Shoji Takada	9	425	6	3
633	Tzu-ching Yen	3	424	1	1
634	Wei Li	14	423	1	3
634	Yun-dong Wu	14	423	2	4
636	Matthew P Jacobson	7	421	6	12
636	Stefano Caprasecca	6	421	1	1
638	Marco Garavelli	22	420	2	8
639	Jim Pfaendtner	7	417	5	3
640	Sergei Yu Noskov	10	416	2	4
641	David E Kim	1	415	5	5
641	Yuan Liu	1	415	9	1
643	Andreas Heßelmann	8	414	2	3
643	Sereina Riniker	13	414	3	3
645	S Kuehn	1	413	20	6
645	Y Kulchitsky	1	413	40	6
645	Yann Garniron	4	413	1	1
648	Tommaso Giovannini	16	412	1	2
649	Rebecca C Wade	11	411	5	12
649	Matthew A Addicoat	5	411	10	6
651	Kyuho Lee	2	410	4	6
651	Cezary Czaplewski	9	410	2	3
651	Xavier Assfeld	9	410	2	2
654	Kaido Tammeveski	1	409	25	9
654	Giacomo Fiorin	3	409	4	4
656	Lukas S Stelzl	6	408	1	1
657	Miquel Huix-rotllant	14	407	1	1
658	Yu-shan Lin	3	406	4	2
658	Antonia S J S Mey	3	406	3	1
658	Ye Mei	10	406	2	1
661	Fabio Caruso	2	405	4	2
662	Antonio Frontera	7	403	29	25
662	Wesley D Allen	10	403	4	7
664	George H Booth	10	402	3	4
665	Srinivasan S Iyengar	25	401	1	3
665	Luigi Delle Site	7	401	2	4
665	Wenli Zou	11	401	3	2
665	Hai Lin	12	401	1	3
669	Eitan Geva	12	400	4	3
670	Ya-jun Liu	10	399	3	1
671	Maximilian Kubillus	4	398	1	1
671	Antonio Monari	9	398	6	4
671	Meng-chuan Lai	1	398	28	11
671	Caitlin C Bannan	4	398	1	1
675	Evert Jan Baerends	5	396	16	16
675	Péter G Szalay	14	396	2	7
677	Poul Jørgensen	8	395	3	6
678	Nathalie Guihéry	3	394	2	1
678	Fabien Bruneval	10	394	2	5
678	Sergei Izvekov	8	394	3	3
681	Georg Kresse	5	393	8	16
682	James C Robertson	2	392	1	1
683	Ivo Cacelli	12	391	1	1
683	Rachel Crespo-otero	6	391	2	2
685	Matthew R Hermes	17	390	1	2
686	Ahmet Altun	7	389	1	2
687	Daniel Roca-sanjuán	12	388	1	3
687	Ibon Alkorta	5	388	32	21
687	Kresten Lindorff-larsen	10	388	3	13
687	Alexander V Nemukhin	9	388	2	2
687	Daniel Neuhauser	9	388	2	3
692	Jörg Kussmann	14	387	2	3
692	Jeffrey Comer	8	387	1	3
694	Jae Woo Park	14	384	1	1
695	Kenneth B Wiberg	5	383	8	11
695	Markus Zweckstetter	1	383	31	15
697	Louis Vanduyfhuys	8	381	1	1
697	Wilfred F Van Gunsteren	5	381	15	14
699	Ron Elber	11	380	4	7
699	David E Shaw	5	380	5	15
699	Patrice Malfreyt	9	380	3	2
699	David W Wright	4	380	1	1
699	Niels Hansen	4	380	3	1
704	Byoung Hun Lee	1	379	31	7
705	Holger Kruse	8	377	1	5
705	Lane W Votapka	2	377	2	1
707	Michael J G Peach	3	376	3	3
707	Hien Pham	1	376	14	2
707	Yuji Sugita	12	376	6	10
707	Johannes Neugebauer	15	376	3	6
707	Pietro Cortona	2	376	9	2
712	Martina Stella	3	375	1	1
712	Benjamin Stamm	9	375	1	1
714	E k u Gross	6	372	6	11
714	Jeongnim Kim	5	372	1	1
714	Ulrike Salzner	5	372	2	2
714	Edina Rosta	9	372	2	7
718	Patrick Norman	9	371	5	6
719	Michael Gastegger	2	369	4	5
719	Tristan Bereau	7	369	3	2
721	Manuel Yáñez	10	368	5	6
722	Daniel Harries	8	367	2	4
722	David Casanova	11	367	5	7
724	Carmay Lim	9	366	4	5
724	Ray Luo	18	366	2	6
724	Christina Bergonzo	4	366	1	1
727	Sebastian Spicher	3	365	2	3
727	Adrian J Mulholland	10	365	7	8
727	Gerhard König	9	365	1	1
730	Julien Michel	9	364	1	3
731	Max Schwilk	3	363	1	1
731	Kurt V Mikkelsen	8	363	8	7
733	Marika Savarese	6	362	1	1
733	Gareth A Tribello	9	362	1	3
735	Bertrand Caron	2	361	1	1
736	Christoph Riplinger	5	360	2	2
737	Rémi Maurice	2	359	8	1
738	Bernd Ensing	5	358	4	2
738	Christof Hättig	16	358	4	11
740	Krzysztof Pachucki	2	357	7	6
740	Shuhua Li	19	357	3	7
740	C Dallapiccola	1	357	98	8
740	Jacek Komasa	3	357	7	5
740	Piero Procacci	11	357	3	4
740	Régis Pomès	5	357	2	4
740	Grzegorz ŁAch	2	357	2	1
747	Karel Berka	5	355	3	3
747	Victor Guallar	10	355	1	6
747	Bernhard Knapp	3	355	3	2
747	Charlotte M Deane	3	355	10	9
747	Daniel J Cole	8	355	1	1
752	Christopher L Mcclendon	4	354	1	3
752	Othonas A Moultos	9	354	2	2
752	Aaron R Dinner	6	354	5	11
755	Paola Gori-giorgi	15	351	1	4
756	Jonah Z Vilseck	8	349	1	2
756	Barry D Dunietz	9	349	4	6
758	Mariana Rossi	4	348	3	2
759	John Mongan	1	345	6	3
759	Shuping Huang	2	345	13	4
761	Shiwei Zhang	10	344	4	6
761	Sandro Bottaro	6	344	1	2
763	Miguel Machuqueiro	13	343	1	3
764	Wataru Shinoda	8	341	4	5
765	Bin Li	1	340	4	1
765	Brian W Doherty	1	340	2	2
767	Christoph Dellago	4	339	10	7
767	Andreas Köhn	9	339	2	5
767	Jochen Blumberger	13	339	1	6
767	Shaul Mukamel	24	339	11	20
771	Alán Aspuru-guzik	9	338	13	37
771	Zhenggang Lan	7	338	5	4
771	Changwei Wang	3	338	2	1
774	Luigi Cavallo	6	337	20	27
774	Sharon Hammes-schiffer	14	337	6	13
776	Vyacheslav S Bryantsev	1	336	20	9
776	Steven G Louie	2	336	18	14
778	Alessandro Erba	9	335	4	6
778	Vojtěch Mlýnsk	8	335	1	1
780	Attila G Császár	10	333	6	8
780	Patrick F J Fuchs	4	333	2	2
780	Sébastien Lebègue	6	333	4	3
780	Alfonso Pedone	7	333	3	5
784	Jožica Dolenc	4	332	1	1
784	Diogo Vila-viçosa	12	332	1	1
784	Martin B Ulmschneider	6	332	2	2
784	Rs Legeza	9	332	1	1
784	Michal Repisky	9	332	2	1
789	Viktor Hornak	4	331	1	3
789	Eric Neuscamman	17	331	1	3
791	Ioannis G Economou	5	330	12	9
791	Andreas Singraber	2	330	1	1
791	Agílio A H Pádua	5	330	6	7
791	Junmei Wang	10	330	3	12
791	Filip Lanka	6	330	3	3
796	Jiannian Yao	6	329	10	11
796	Tingjun Hou	8	329	8	16
796	Nicolas Suaud	3	329	4	1
799	Joseph E Basconi	1	327	2	1
799	Hélio Anderson Duarte	3	327	10	3
799	Chris-kriton Skylaris	13	327	2	2
799	Fang Liu	6	327	2	1
799	Benoît Champagne	9	327	11	14
804	Edoardo Apr	12	325	2	5
804	Jane R Allison	4	325	2	1
804	Kazunari Yoshizawa	2	325	27	13
804	Yoshihito Shiota	2	325	19	9
804	Julien Toulouse	6	325	3	4
809	Ferdinand Evers	2	322	8	7
810	James Shee	12	321	1	1
810	Andrew M Teale	13	321	2	3
812	K Nakamura	1	320	64	10
813	Chihaya Adachi	1	318	79	29
813	Tetsuya Nakagawa	1	318	5	5
813	Qisheng Zhang	1	318	13	7
813	Jindřich Fanfrlík	1	318	23	3
813	Bettina G Keller	3	318	3	2
813	Paul Geerlings	9	318	3	7
819	Andreas Vitalis	6	317	1	3
819	H Lee Woodcock	8	317	1	5
821	David B Williams-young	16	316	1	1
822	Emily A Carter	15	315	7	24
822	Johannes Lischner	3	315	6	5
824	Andrew R Webster	1	313	20	7
824	Maria M Reif	5	313	1	1
824	Andrei V Pisliakov	1	313	6	2
827	Julian J Kranz	7	312	1	1
827	David R Reichman	8	312	4	10
829	Leonardo Darr	3	311	1	1
829	François Dehez	6	311	1	1
829	Matteo Salvalaglio	8	311	1	2
832	Giuseppe M J Barca	10	310	1	2
832	Barbara Kirchner	9	310	6	8
832	Haiyang Zhang	4	310	5	1
832	Kieron Burke	8	310	7	10
836	Dage Sundholm	10	309	4	5
836	Henrik Koch	21	309	3	5
838	David A Egger	6	308	9	14
838	Yannick J Franzke	9	308	1	2
838	Naoto Hori	4	308	4	1
841	Luca De Vico	8	307	1	3
841	Wei Wu	12	307	4	8
843	Rodolphe Vuilleumier	4	306	8	5
843	Axel D Becke	2	306	3	2
845	Tom K Woo	3	305	2	5
846	Scott D Kennedy	4	304	2	2
846	Tetsuya Taketsugu	11	304	7	8
846	Jingzhi Pu	9	304	1	5
846	Edward B Miller	6	304	1	1
846	Javier Fernández Sanz	2	304	24	7
851	Anouar Benali	5	303	3	1
851	Daria B Kokh	5	303	2	1
853	Cristian Moya	1	302	6	1
853	J R Schmidt	4	302	6	7
853	Tony Lelièvre	4	302	3	2
853	José Palomar	1	302	25	7
857	I Mandi	2	301	26	16
857	Jonny Proppe	6	301	1	1
857	Thibaud Etienne	3	301	1	2
860	Daniel S Levine	4	300	3	3
861	Jan Wilhelm	5	299	2	2
861	Ahmed E Ismail	3	299	3	4
861	Ricardo O Freire	5	299	5	6
861	Rosa E Bulo	5	299	1	1
861	Paulo C T Souza	9	299	1	4
861	Agastya P Bhati	7	299	1	1
867	David S Cerutti	4	298	1	2
868	Claire S Adjiman	3	297	11	10
868	Andriy Kovalenko	2	297	6	5
868	Sergey Gusarov	2	297	8	1
871	Hans M Senn	3	296	3	4
871	Hans ÅGren	16	296	5	24
873	Susan B Rempe	5	295	5	5
874	Hari S Muddana	5	294	1	2
874	Shuming Bai	3	294	3	1
874	Patric Schyman	2	294	5	1
877	Sheng Guo	4	293	2	3
877	Stanislav Komorovsky	7	293	2	1
877	Amir Karton	7	293	8	7
877	Kristine Pierloot	3	293	2	5
881	Stijn De Baerdemacker	4	292	4	1
881	Gregory S Tschumper	7	292	4	4
881	Paul M Zimmerman	4	292	8	7
884	Xueguang Shao	9	291	9	6
884	Richard H Henchman	4	291	4	4
884	Marlene B Schwartz	1	291	36	12
884	Nathan J Deyonker	2	291	9	3
884	Feliks Nüske	2	291	3	2
889	Amedeo Caflisch	13	290	2	11
889	Josep M Luis	12	290	4	7
889	Dominika Zgid	13	290	2	3
892	Thomas J Piggot	2	289	2	1
893	Jeffrey R Reimers	3	288	13	8
893	Tom Kurtzman	7	288	1	1
893	William J Huggins	1	288	2	2
896	Davide Donadio	7	287	5	9
896	Dorothea Golze	8	287	1	2
898	Giorgio Colombo	11	286	1	7
898	Alessandro Genoni	9	286	2	2
898	Yingkai Zhang	9	286	5	5
898	Trygve Helgaker	10	286	6	12
902	Sandro Sorella	10	285	4	6
903	Haohao Fu	8	284	2	1
903	Joseph E Subotnik	11	284	3	6
905	František Karlick	5	283	4	4
905	Robert A Lang	5	283	1	1
905	Attila Tajti	12	283	1	2
905	Paul A Johnson	4	283	2	3
909	Adèle D Laurent	6	282	2	5
909	Alejandro Gil-ley	4	282	1	2
909	Talal Mallah	1	282	28	9
909	Wenzhen Lai	5	282	1	6
909	Manuel J Coelho-e-silva	1	282	25	3
914	Olexandr Isayev	3	281	6	9
914	Jeremy N Harvey	5	281	16	18
914	Jaehyeok Jin	5	281	2	1
914	Florian Müller-plathe	17	281	1	8
918	Dieter Cremer	6	280	6	13
918	Yinan Shu	15	280	1	1
918	Marco Pagliai	8	280	2	3
921	Hiromi Nakai	14	279	6	7
922	Giovannimaria Piccini	5	278	1	1
922	Otilia M	6	278	10	6
924	Gábor Csányi	8	277	4	12
924	Emanuele Coccia	10	277	2	2
926	Soohyung Park	9	276	1	2
927	Stephan Kümmel	5	275	6	6
927	Lin Shen	5	275	2	1
927	Justin S Smith	2	275	3	5
927	Kipton Barros	2	275	7	4
927	Achintya Kumar Dutta	10	275	2	2
927	Juan E Peralta	9	275	3	5
933	David H Mathews	7	274	5	11
933	Jeff R Hammond	6	274	2	2
935	Petr Bou	10	273	5	8
935	Christopher J Mundy	5	273	6	10
937	Hilke Bahmann	5	272	2	2
937	Krzysztof Szalewicz	4	272	10	14
937	Markéta Paloncýov	4	272	2	2
937	Andreas Krämer	6	272	1	1
941	J Grant Hill	8	270	4	3
941	Daniele Fazzi	1	270	20	6
941	Michał Przybytek	6	270	2	2
944	Mohammad M Sultan	4	269	1	1
944	Kim K Baldridge	10	269	4	8
944	Hailiang Zhao	2	269	4	1
944	Junming Ho	6	269	3	4
944	Pritam Ganguly	4	269	2	4
944	Francesco Luigi Gervasio	10	269	2	8
950	James A Platts	6	268	7	10
950	Changsheng Zhang	3	268	1	2
950	Gianni De Fabritiis	9	268	2	6
953	Elfi Kraka	8	267	1	5
953	Guillaume Jeanmairet	2	267	4	2
955	Kasper Kristensen	4	266	5	7
955	Sebastian Thallmair	6	266	1	3
955	Niu Huang	1	266	13	5
958	Jakub Kaminsk	7	265	2	1
958	Kun Yao	3	265	2	3
960	Yuezhi Mao	7	264	2	3
960	Pablo D Dans	3	264	2	3
960	Pál D Mezei	11	264	1	2
960	Gregory D Scholes	1	264	43	22
964	Kristof T Schütt	1	263	4	6
964	Yury Minenkov	6	263	1	5
964	Leonardo Belpassi	10	263	2	6
964	Piotr Piecuch	6	263	6	12
968	Kai Leonhard	3	262	12	3
968	Jadran Vrabec	4	262	13	9
968	Leif C Kröger	3	262	2	1
971	Daniel R Nascimento	7	261	1	1
971	Samuel Genheden	8	261	2	5
973	Christel M Marian	4	260	11	8
973	Per E M Siegbahn	3	260	19	14
973	Tobias Kramer	2	260	6	1
976	Raffaello Potestio	9	259	2	2
976	Wolfgang Wenzel	11	259	6	8
976	Alex J W Thom	17	259	2	2
979	A J Pérez-jiménez	4	258	6	4
979	Gino A Dilabio	10	258	1	7
979	Michael E Foster	3	258	2	1
979	Yeol Kyo Choi	6	258	1	1
979	A R Weidberg	1	258	70	10
979	Katarzyna Pernal	13	258	2	4
979	Bartolomeo Civalleri	6	258	7	14
986	Xibing He	6	256	1	3
986	Andreas Savin	5	256	6	8
986	Karsten Reuter	14	256	5	16
986	Roland Faller	6	256	7	6
986	Juha Vaara	9	256	3	7
986	Donghyuk Suh	4	256	1	1
986	Janet E Del Bene	6	256	11	7
986	Ari Paavo Seitsonen	1	256	25	13
994	Erik Donovan Hedegård	10	255	1	2
994	Robin Grotjahn	7	255	1	2
994	Mikael P Johansson	4	255	2	3
994	Ragnar Bjornsson	4	255	4	3
994	Celia A Schiffer	10	255	3	9
999	Christopher I Bayly	3	254	1	4
999	Gia G Maisuradze	5	254	3	2

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