5.8(top 5%)
impact factor
9.8K(top 2%)
papers
504.6K(top 1%)
citations
249(top 1%)
h-index
5.9(top 5%)
extended IF
11.1K
all documents
548.8K
doc citations
477(top 1%)
g-index

Top Authors (by articles)

#NameArticlesCitationsR ARankR CRank
1Markus Reiher654612
2Vicenzo Barone516222
2Walter Thiel537222
2John M Herbert523911
2Martin Head-Gordon565222
6Xiaosong Li413812
6Jochen Autschbach416812
6Noa Marom442512
6Denis Jacquemin419723
6Eric Neuscamman411611
6Thomas Körzdörfer442811
6Francesc Illas Riera417213
13Weitao Yang315513
13Edoardo Aprà35812
13Raffaello Potestio39911
13Michele Parrinello32416
13Mark S Gordon36522
13Guo-Hui Li311113
13Alessandro Laio39411
13Giovanni Bussi331911
13Toon Verstraelen334412
13Alexei A Kananenka313711
13Michal Otyepka369111
13David L Mobley329122
13Wenjian Liu323511
13Richard A Friesner33.1K11
13Marcus Elstner311312
13Gregory A Voth315026
13David J Wales38125
13Bernard R Brooks317421
13Sonia Coriani36811
13Lorenzo Maschio315911
13Efthimios Kaxiras325325
13Patrick Rinke340621
13Juerg Hutter320911
13Amir Karton315113
13Luning Zhao38511
13Martin Kaupp37324
13David B Williams-Young37911
13Shunyang Wang318612
13Michael R Shirts38912
13Frank Noé355111
13Dominika Zgid313711
13Frank Neese358732
13Gerhard König317421
46Julian J Kranz26111
46Giuseppe M J Barca23411
46Alston J Misquitta215312
46Laura Gagliardi211445
46Yuezhi Mao214823
46D Peter Tieleman210321
46Grigory Kolesov217511
46Rebecca C Wade24418
46Zongtang Fang29421
46Susi Lehtola29511
46Xin Li220210
46Lin Shen213811
46Habiburrahman Zulfikri24011
46Neil Qiang Su221911
46Ting-Jun Hou29726
46Emily Ann Carter25037
46Jógvan Magnus Haugaard Olsen27412
46Frederick R Manby28211
46Sergei Y Noskov23413
46Matteo Barborini21212
46Omar Valsson21714
46Garnet Chan218313
46Claudio Amovilli24011
46Gerrit Groenhof215211
46Leo Radom27412
46Hannes Jónsson29522
46Alexander D Mackerell23.8K22
46Bernd Hartke24211
46Kenneth B Wiberg23811
46Jan Wilhelm218111
46Thomas B Pedersen217312
46Alberto Baiardi25423
46YIhan Shao212812
46Edward F Valeev22724
46Francesc Viñes29014
46Bun Chan27412
46Christopher N Rowley216212
46Zhendong Li27312
46Alejandro Gil-Ley217111
46Marco Garavelli25922
46Alessio Valentini212012
46Joost VandeVondele29511
46Toru Shiozaki214011
46Klaus R. Liedl211512
46Patrick Norman22123
46Dan Li29712
46Xuchun Yang212011
46Denis Andrienko29012
46Farnaz Heidar-Zadeh223311
46Dimitrios A Pantazis229611
46Davide Donadio27115
46Claudia Filippi24012
46Benjamin G Janesko24011
46Carlo Adamo223731
46Zhongwei Hu24812
46Joshua J Goings27812
46Luca De Vico27212
46Ernst-Walter Knapp23212
46Pavlo O Dral222211
46Anastassia N Alexandrova219921
46Ali A Hassanali211513
46Gerhard Stock210111
46Bryan M Wong213022
46Alessandro Genoni212511
46Giovanni Li Manni222712
46Zhaleh Ghaemi23111
46Lucas K Wagner27722
46Anthony J Stone215311
46Erik Donovan Hedegård25612
46Ye Mei212811
46William L Jorgensen23.0K11
46Wesley D Allen23112
46Benedetta Mennucci218821
46S Knippenberg24611
46Frank Jensen23415
46Giovanni Scalmani24011
46David A Dixon29422
46Filippo Lipparini218211
46Xin Xu221921
46C David Sherrill214412
46Nicolas Ferré28312
46Erin Johnson27111
46Marco Antonio Chaer Nascimento27611
46Hichem Dammak28011
46Paola Gori-Giorgi28921
46Shaul Mukamel235210
46Andrea Cavalli24434
46Timothy Gould221311
46Samuel Genheden24112
46Jacob Kongsted27422
46Donald G Truhlar252054
46Alexey V Akimov214711
46Francesco A Evangelista29522
46Amber Jain215312
46Hoi Ling Luk212011
46Lingle Wang22.9K11
46Massimo Olivucci212012
46Henrik Koch26411
46Mathieu Linares23714
46(null)212511
46Teresa Head-Gordon210723
46Henry F Schaefer22559
46Thomas E Cheatham254511
46Qiming Sun237611
46Gabriel Hanna22311
46Nicholas A Besley25212
46Peter M W Gill23412
46Lasse Jensen24824
46Maytal Caspary Toroker27122
46Sandro Bottaro220711
46André Anda27211
46Thorsten Hansen27211
46Kurt Kremer25123
46Xin Wu222211
46Christopher J Stein237711
46Joseph E Subotnik215323
46Mark E Tuckerman25615
46Alessio Petrone28412
46David A Case23.9K11
46Paul Ayers223341
46Zilvinas Rinkevicius22011
46Bartolomeo Civalleri213611
46Franco Egidi27212
46John Z H Zhang29112
46Eric C Dybeck27311
46Ryan M Richard214411
46Julien Bloino25413
46Fabrizio Santoro211923
46Fabien Brieuc28011
46Josef Melcr26812
46Javier Cerezo211921
46Giovanni Bistoni232111
46Stephan Irle27313
46Troy Van Voorhis210011
46Hans Ågren220410
46Karsten Kreis25111
46Shiladitya Banerjee25411
46Mauro Del Ben218111
46C J Umrigar247111
46Dage Sundholm27723
46Sebastian Wouters231511
46Adam A Holmes247111
46Jordan J Phillips25911
46Tran Nguyen Lan29211
46Omar Demerdash210711
46J V Ortiz214411
192Ikutaro Hamada120211
192Sebastian Mai118423
192Wonpil Im13.7K31
192Rodrigo Galindo-Murillo149311
192Alexander A Auer129111
192Mark R Hoffmann116211
192Vikram Khipple Mulligan152811
192Marco Govoni120211
192Markus Oppel118411
192Justin A Lemkul13.7K11
192Louis Vanduyfhuys118911
192David Baker152853
192Peter Scherpelz120211
192Jeffery B Klauda13.7K31
192Min Sun Yeom13.7K11
192David E Kim152821
192Christoph Riplinger129122
192Philip Bradley152811
192Lillian T Chong118711
192Ali Alavi117811
192Jumin Lee13.7K11
192Sheng Guo117111
192Yuan Liu152811
192Narbe Mardirossian143222
192Masaaki Saitow129111
192Pratyush Tiwary121923
192Simon D Smart117811
192David S Cerutti118711
192Xinguo Ren119421
192Karl T Debiec118711
192Petr Jurečka149311
192Chuanjie Wu12.8K11
192Sunhwan Jo13.7K11
192Xiao He145532
192Marika Savarese120221
192Matthew A Addicoat119114
192Hahnbeom Park152821
192Frank DiMaio152821
192Giulia Galli120211
192Charles L Brooks13.7K21
192Michel Waroquier118911
192Éric A G Brémond120221
192Philipp Marquetand118433
192Joseph Ortiz119421
192James C Robertson149311
192John D Chodera117911
192Felix Plasser118422
192Edward B Miller121911
192Haoyu S Yu145512
192Veronique Van Speybroeck118924
192Thomas Heine1191117
192Vijay S Pande13.7K11
192Caitlin C Bannan117011
192Yifei Qi13.7K21
192Robert Abel12.8K11
192Daniel Aravena117821
192Steven Vandenbrande118911
192Manuel Sparta129111
192(null)13.7K11
192Markus K Dahlgren12.8K11
192Weifeng Hu117111
192Jong Cheol Jeong13.7K11
192Damien E Coupry119112
192Edward Harder12.8K11
192B J Berne121922
192Shuai Wei13.7K11
192Wolfgang Damm12.8K11
192Dmitry Lupyan12.8K11