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
1Vicenzo Barone827611
1Christian Ochsenfeld831412
3Donald G Truhlar727914
4Markus Reiher644012
5Giovanni Scalmani526311
5Jacob Kongsted510111
7Chao Yang416612
7Emily Ann Carter48216
7Jógvan Magnus Haugaard Olsen49011
7Garnet Chan450111
7Alexander D Mackerell428912
7Alberto Baiardi414311
7Gregory A Voth414724
7Martin Head-Gordon421723
7Jörg Kussmann415711
7Benoı̂t Roux446411
7Andreas Dreuw414311
7Sandeep Sharma458211
7Christophe Chipot432011
7Henry F Schaefer41.2K11
7Frank Neese474731
22Leticia Gonzalez313124
22Qiang Shao34311
22Jean-Philip Piquemal316311
22Jan Řezáč320211
22Lin Lin315212
22Xiaosong Li313112
22Gerhard Hummer319112
22Wei Li316911
22Hannes Jónsson310733
22Roi Baer317111
22Mario Barbatti341411
22Jochen Autschbach36716
22Thomas A Niehaus348011
22Wei Hu315213
22Michal Otyepka315814
22Richard A Friesner330911
22Edward G Hohenstein31.2K11
22Denis Jacquemin316422
22David Dubbeldam311711
22Benedetta Mennucci316812
22Eric Neuscamman37411
22Todd J Martinez317124
22David A Dixon314832
22Junwei Lucas Bao312515
22C David Sherrill31.2K11
22Nicolas Ferré35811
22Pengyu Ren311912
22Casper Steinmann34711
22Erin Johnson313812
22Sandra Luber36112
22Francesco A Evangelista31.2K11
22Peter V Coveney321611
22Chris -Kriton Skylaris35215
22Felix Plasser312011
22Mihaly Kallay312312
22Luigi Genovese313111
22Jonathan W Essex319411
22Piero Procacci37111
22Vijay S Pande322924
22Adrian H Elcock311411
22Daniel Neuhauser317111
22Franco Egidi316411
22Riccardo Chelli37111
22Justin M Turney31.2K11
22Gunnar Schmitz36711
22Daniele Licari312411
68Martin Zacharias23027
68Laura Gagliardi272711
68Pavel Hobza28222
68Adam S Foster21817
68Florian Libisch24012
68Gábor I Csonka29811
68Alan E Mark26911
68Barira Islam210012
68Scott Habershon26811
68Alexander A Auer265111
68Kai Leonhard29411
68Karol Kowalski28011
68Max Schwilk227211
68Michele Parrinello210534
68Justin A Lemkul216611
68Martial Boggio-Pasqua28511
68Wei-Liang Zhu23724
68Joachim Dzubiella24016
68Shu-Hua Li27113
68Walter Thiel238041
68Kim Baldridge22115
68Shunzhou Wan218911
68Klaus Schulten221111
68Monica Vasiliu212122
68Frederick R Manby25811
68Ulf Ryde214111
68Steven E Wheeler25512
68Marco Caricato23613
68Tim Clark232310
68Stefano Caprasecca211911
68Gerrit Groenhof219211
68Raimondas Galvelis27811
68Karsten Reuter25928
68Joseph A Morrone213311
68Holger Gohlke25414
68Brian K Radak218711
68Bin Chen22911
68Yury Minenkov212511
68Georg Kresse215722
68Kuang Yu24011
68Giovanni Bussi27213
68YIhan Shao25312
68Heather J Kulik213923
68Michael Feig24314
68Angela K Wilson26412
68Dmitry I Sharapa23212
68Andrew M Teale28011
68Shiwei Zhang28224
68Mark S Miller29111
68Yuji Sugita27833
68Stefan Knecht218011
68Bun Chan26812
68Jianing Li24313
68Christoph Riplinger212012
68Xavier Blase210812
68Hans-Joachim Werner227211
68Nicholas P Brawand27912
68Ali Alavi235911
68Zhendong Li210611
68Ignacio Fdez Galván23713
68Piotr Setny21512
68Andreas Köhn213411
68Toru Shiozaki225911
68Sheng Guo212013
68Juha Vaara23811
68Luigi Cavallo212558
68Christine Peter28811
68Oliviero Andreussi213411
68Thomas F Miller Iii25812
68Masaaki Saitow21.2K11
68Gregory J O Beran25311
68Ken A Dill213313
68Robert M Parrish21.2K11
68Richard W Pastor27813
68Leonardo Guidoni22212
68Benjamin G Janesko23812
68Hui Li26811
68Maria Belen Oviedo214111
68Yasuteru Shigeta25922
68Xiao-Gen Xiong27511
68Marcus Elstner29911
68Victor S Batista217556
68Michael Gilson211712
68Bryan M Wong214112
68David J Wales24148
68Bernard R Brooks214412
68Gino A Dilabio24211
68Jakob S Kottmann23111
68Xiao He28713
68Lina J Nåbo24911
68Jae Woo Park225911
68David d L Minh24011
68(null)211811
68Christine Isborn28411
68Filippo Lipparini210411
68Shuming Bai235711
68Nese Kurt-Yilmaz25812
68alberto Perez213311
68Thomas Simonson22712
68David W Wright214911
68Lukas S Stelzl212711
68Petr Stadlbauer210012
68Emanuele Maggio215711
68Tommaso Giovannini211811
68Hans Lischka25321
68Thomas Körzdörfer23311
68Christof Hattig26011
68Andrew C Simmonett21.2K12
68Ulrich Kleinekathöfer25934
68Imre Bakó23611
68Ray Luo23813
68Wen-Sheng Cai210911
68Pal D Mezei29811
68Gerald Knizia224611
68Timothy Gould24412
68Louis Lagardère213611
68Gianni Cardini22811
68Maria J. Ramos24615
68Cristina García-Iriepa23315
68Florian Andreas Bischoff23112
68Niel M Henriksen211711
68István Mayer23611
68T Daniel Crawford21.2K11
68Giulia Galli27936
68Lingle Wang217413
68Leon Freitag215111
68Martti J Puska217812
68Craig P Plaisance29812
68Syed Awais Rouf23811
68Adam Grofe26811
68Anton V Sinitskiy24111
68James T Kindt22411
68ali Poursaeidesfahani210111
68Alfredo Pasquarello23913
68Darrin M York213011
68Rommie E Amaro224611
68Laurence E Fried210311
68Ines Corral28411
68Martin Stroet26911
68Teresa Head-Gordon25516
68Jiali Gao26811
68Marco Pagliai22812
68Leif C Kröger29411
68Qiming Sun239511
68Michiel Jan van Setten211412
68Fabien Bruneval24612
68Haohao Fu210911
68Marton Voros27912
68Celestino Angeli211111
68Nicola Tasinato210411
68Eran Rabani212411
68Francesc Illas Riera212135
68Tai-Sung Lee213011
68Jesus Gonzalez-Vazquez28411
68Veronique Van Speybroeck212525
68Celia A Schiffer25814
68Stephan Mohr24612
68J Ilja Siepmann24415
68David B Williams-Young24212
68Gabriele Raabe28321
68Diego Sampedro23314
68Lori A Burns21.2K11
68Robert Abel217412
68Victor V Volkov22811
68Nir Goldman210311
68Thijs J H Vlugt210122
68Ze-xing Qu26811
68Takeshi Yanai27511
68Julien Bloino27111
68Dominika Zgid25713
68Olga Lopez-Acevedo27011
68Agastya P Bhati218911
68Ivan Duchemin210812
68Ping Yang25812
68Jacek Dziedzic24411
68Kirk A Peterson212122
68Angel Rubio223334
68Dage Sundholm22326
68Adam A Holmes246211
68Pedro A Fernandes24615
68Feizhi Ding25812
68Yujie Wu217411
250Florian Weigend122631
250Mohammad M Sultan116912
250Andrew M James11.1K11
250Ashutosh Kumar11.1K11
250Jeffrey J Gray11.4K11
250O Anatole Von Lilienfeld153221
250Rhiju Das11.4K21
250Roland L Dunbrack11.4K21
250Wei Jiang117411
250David Baker11.4K61
250Elvira R Sayfutyarova118111
250Daniel G A Smith11.1K11
250Michael S Pacella11.4K11
250Carmay Lim150111
250Edward F Valeev11.1K21
250Philip Bradley11.4K11
250Panagiotis E Theodorakis120011
250Michael Ruggenthaler116612
250Bastien Mussard116811
250Rollin A King11.1K11
250Kalli Kappel11.4K21
250James C Phillips117411
250Haiyang Zhang125021
250Jason W Labonte11.4K11
250Jérôme F Gonthier11.1K11
250Xiao Wang11.1K12
250Matthew J O'meara11.4K11
250Georgi L Stoychev157911
250Felix A Faber153211
250Sunhwan Jo117422
250Yi Wang116311
250Konrad Patkowski11.1K11
250Bin Li147611
250James E T Smith116811
250Uğur Bozkaya11.1K11
250Roberto Di Remigio11.1K11
250Stefan Grimme11.6K92
250Orlando Acevedo147611
250Philip Shushkov11.6K11
250David L Mobley153211
250Hahnbeom Park11.4K11
250Timothy C Berkelbach121422
250Donghyuk Suh117411
250Bing Huang153211
250David van der Spoel125011
250Xing Gao134011
250Tanja Kortemme11.4K11
250Daniele Fazzi134011
250Adolfo B Poma120011
250Marek Cieplak120031
250Johannes Flick116612
250Rebecca F Alford11.4K11
250Patrick F Riley153211
250Benjamin P Pritchard11.1K11
250Alexander Yu Sokolov11.1K11
250J Andrew Mccammon116312
250Christoph Bannwarth11.6K41
250Guillaume Jeanmairet129411
250Yinglong Miao116322
250Ryan M Richard11.1K11
250Jeliazko R Jeliazkov11.4K11
250Richard A Bonneau11.4K11
250Andrew Leaver-Fay11.4K11
250Yui Tik Pang116311
250Brian Kuhlman11.4K11
250Jin Zhang125011
250Symon Gathiaka147611
250C J Umrigar129411
250Steven Kearnes153211
250Brian Doherty147611
250Jeffrey R Wagner124011