A Tkatchenko

Affiliations
  • Physics and Materials Science Research Unit , University of Luxembourg , L-1511 Luxembourg , Luxembourg.

Publications (80)

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

The Journal of chemical physics
Avec: Evgeny Epifanovsky , Andrew T B Gilbert , Xintian Feng , Joonho Lee , Yuezhi Mao , Narbe Mardirossian , Pavel Pokhilko , Alec F White , Marc P Coons , Adrian L Dempwolff , Zhengting Gan , Diptarka Hait , Paul R Horn , Leif D Jacobson , Ilya Kaliman , Jörg Kussmann , Adrian W Lange , Ka Un Lao , Daniel S Levine , Jie Liu , Simon C McKenzie , Adrian F Morrison , Kaushik D Nanda , Felix Plasser , Dirk R Rehn , Marta L Vidal , Zhi-Qiang You , Ying Zhu , Bushra Alam , Benjamin J Albrecht , Abdulrahman Aldossary , Ethan Alguire , Josefine H Andersen , Vishikh Athavale , Dennis Barton , Khadiza Begam , Andrew Behn , Nicole Bellonzi , Yves A Bernard , Eric J Berquist , Hugh G A Burton , Abel Carreras , Kevin Carter-Fenk , Romit Chakraborty , Alan D Chien , Kristina D Closser , Vale Cofer-Shabica , Saswata Dasgupta , Marc de Wergifosse , Jia Deng , Michael Diedenhofen , Hainam Do , Sebastian Ehlert , Po-Tung Fang , Shervin Fatehi , Qingguo Feng , Triet Friedhoff , James Gayvert , Qinghui Ge , Gergely Gidofalvi , Matthew Goldey , Joe Gomes , Cristina E González-Espinoza , Sahil Gulania , Anastasia O Gunina , Magnus W D Hanson-Heine , Phillip H P Harbach , Andreas Hauser , Michael F Herbst , Mario Hernández Vera , Manuel Hodecker , Zachary C Holden , Shannon Houck , Xunkun Huang , Kerwin Hui , Bang C Huynh , Maxim Ivanov , Ádám Jász , Hyunjun Ji , Hanjie Jiang , Benjamin Kaduk , Sven Kähler , Kirill Khistyaev , Jaehoon Kim , Gergely Kis , Phil Klunzinger , Zsuzsanna Koczor-Benda , Joong Hoon Koh , Dimitri Kosenkov , Laura Koulias , Tim Kowalczyk , Caroline M Krauter , Karl Kue , Alexander Kunitsa , Thomas Kus , István Ladjánszki , Arie Landau , Keith V Lawler , Daniel Lefrancois , Susi Lehtola , Run R Li , Yi-Pei Li , Jiashu Liang , Marcus Liebenthal , Hung-Hsuan Lin , You-Sheng Lin , Fenglai Liu , Kuan-Yu Liu , Matthias Loipersberger , Arne Luenser , Aaditya Manjanath , Prashant Manohar , Erum Mansoor , Sam F Manzer , Shan-Ping Mao , Aleksandr V Marenich , Thomas Markovich , Stephen Mason , Simon A Maurer , Peter F McLaughlin , Maximilian F S J Menger , Jan-Michael Mewes , Stefanie A Mewes , Pierpaolo Morgante , J Wayne Mullinax , Katherine J Oosterbaan , Garrette Paran , Alexander C Paul , Suranjan K Paul , Fabijan Pavošević , Zheng Pei , Stefan Prager , Emil I Proynov , Ádám Rák , Eloy Ramos-Cordoba , Bhaskar Rana , Alan E Rask , Adam Rettig , Ryan M Richard , Fazle Rob , Elliot Rossomme , Tarek Scheele , Maximilian Scheurer , Matthias Schneider , Nickolai Sergueev , Shaama M Sharada , Wojciech Skomorowski , David W Small , Christopher J Stein , Yu-Chuan Su , Eric J Sundstrom , Zhen Tao , Jonathan Thirman , Gábor J Tornai , Takashi Tsuchimochi , Norm M Tubman , Srimukh Prasad Veccham , Oleg Vydrov , Jan Wenzel , Jon Witte , Atsushi Yamada , Kun Yao , Sina Yeganeh , Shane R Yost , Alexander Zech , Igor Ying Zhang , Xing Zhang , Yu Zhang , Dmitry Zuev , Alán Aspuru-Guzik , Alexis T Bell , Nicholas A Besley , Ksenia B Bravaya , Bernard R Brooks , David Casanova , Jeng-Da Chai , Sonia Coriani , Christopher J Cramer , György Cserey , A Eugene DePrince , Robert A DiStasio , Andreas Dreuw , Barry D Dunietz , Thomas R Furlani , William A Goddard , Sharon Hammes-Schiffer , Teresa Head-Gordon , Warren J Hehre , Chao-Ping Hsu , Thomas-C Jagau , Yousung Jung , Andreas Klamt , Jing Kong , Daniel S Lambrecht , WanZhen Liang , Nicholas J Mayhall , C William McCurdy , Jeffrey B Neaton , Christian Ochsenfeld , John A Parkhill , Roberto Peverati , Vitaly A Rassolov , Yihan Shao , Lyudmila V Slipchenko , Tim Stauch , Ryan P Steele , Joseph E Subotnik , Alex J W Thom , Alexandre Tkatchenko , Donald G Truhlar , Troy Van Voorhis , Tomasz A Wesolowski , K Birgitta Whaley , H Lee Woodcock , Paul M Zimmerman , Shirin Faraji , Peter M W Gill , Martin Head-Gordon , John M Herbert , Anna I Krylov

The seventh blind test of crystal structure prediction: structure generation methods.

Acta crystallographica Section B, Structural science, crystal engineering and materials
Avec: Lily M Hunnisett , Jonas Nyman , Nicholas Francia , Nathan S Abraham , Claire S Adjiman , Srinivasulu Aitipamula , Tamador Alkhidir , Mubarak Almehairbi , Andrea Anelli , Dylan M Anstine , John E Anthony , Joseph E Arnold , Faezeh Bahrami , Michael A Bellucci , Rajni M Bhardwaj , Imanuel Bier , Joanna A Bis , A Daniel Boese , David H Bowskill , James Bramley , Jan Gerit Brandenburg , Doris E Braun , Patrick W V Butler , Joseph Cadden , Stephen Carino , Eric J Chan , Chao Chang , Bingqing Cheng , Sarah M Clarke , Simon J Coles , Richard I Cooper , Ricky Couch , Ramon Cuadrado , Tom Darden , Graeme M Day , Hanno Dietrich , Yiming Ding , Antonio DiPasquale , Bhausaheb Dhokale , Bouke P van Eijck , Mark R J Elsegood , Dzmitry Firaha , Wenbo Fu , Kaori Fukuzawa , Joseph Glover , Hitoshi Goto , Chandler Greenwell , Rui Guo , Jürgen Harter , Julian Helfferich , Detlef W M Hofmann , Johannes Hoja , John Hone , Richard Hong , Geoffrey Hutchison , Yasuhiro Ikabata , Olexandr Isayev , Ommair Ishaque , Varsha Jain , Yingdi Jin , Aling Jing , Erin R Johnson , Ian Jones , K V Jovan Jose , Elena A Kabova , Adam Keates , Paul F Kelly , Dmitry Khakimov , Stefanos Konstantinopoulos , Liudmila N Kuleshova , He Li , Xiaolu Lin , Alexander List , Congcong Liu , Yifei Michelle Liu , Zenghui Liu , Zhi Pan Liu , Joseph W Lubach , Noa Marom , Alexander A Maryewski , Hiroyuki Matsui , Alessandra Mattei , R Alex Mayo , John W Melkumov , Sharmarke Mohamed , Zahrasadat Momenzadeh Abardeh , Hari S Muddana , Naofumi Nakayama , Kamal Singh Nayal , Marcus A Neumann , Rahul Nikhar , Shigeaki Obata , Dana O'Connor , Artem R Oganov , Koji Okuwaki , Alberto Otero-de-la-Roza , Constantinos C Pantelides , Sean Parkin , Chris J Pickard , Luca Pilia , Tatyana Pivina , Rafał Podeszwa , Alastair J A Price , Louise S Price , Sarah L Price , Michael R Probert , Angeles Pulido , Gunjan Rajendra Ramteke , Atta Ur Rehman , Susan M Reutzel-Edens , Jutta Rogal , Marta J Ross , Adrian F Rumson , Ghazala Sadiq , Zeinab M Saeed , Alireza Salimi , Matteo Salvalaglio , Leticia Sanders de Almada , Kiran Sasikumar , Sivakumar Sekharan , Cheng Shang , Kenneth Shankland , Kotaro Shinohara , Baimei Shi , Xuekun Shi , A Geoffrey Skillman , Hongxing Song , Nina Strasser , Jacco van de Streek , Isaac J Sugden , Guangxu Sun , Krzysztof Szalewicz , Benjamin I Tan , Lu Tan , Frank Tarczynski , Christopher R Taylor , Alexandre Tkatchenko , Rithwik Tom , Mark E Tuckerman , Yohei Utsumi , Leslie Vogt-Maranto , Jake Weatherston , Luke J Wilkinson , Robert D Willacy , Lukasz Wojtas , Grahame R Woollam , Zhuocen Yang , Etsuo Yonemochi , Xin Yue , Qun Zeng , Yizu Zhang , Tian Zhou , Yunfei Zhou , Roman Zubatyuk , Jason C Cole

The seventh blind test of crystal structure prediction: structure ranking methods.

Acta crystallographica Section B, Structural science, crystal engineering and materials
Avec: Lily M Hunnisett , Nicholas Francia , Jonas Nyman , Nathan S Abraham , Srinivasulu Aitipamula , Tamador Alkhidir , Mubarak Almehairbi , Andrea Anelli , Dylan M Anstine , John E Anthony , Joseph E Arnold , Faezeh Bahrami , Michael A Bellucci , Gregory J O Beran , Rajni M Bhardwaj , Raffaello Bianco , Joanna A Bis , A Daniel Boese , James Bramley , Doris E Braun , Patrick W V Butler , Joseph Cadden , Stephen Carino , Ctirad Červinka , Eric J Chan , Chao Chang , Sarah M Clarke , Simon J Coles , Cameron J Cook , Richard I Cooper , Tom Darden , Graeme M Day , Wenda Deng , Hanno Dietrich , Antonio DiPasquale , Bhausaheb Dhokale , Bouke P van Eijck , Mark R J Elsegood , Dzmitry Firaha , Wenbo Fu , Kaori Fukuzawa , Nikolaos Galanakis , Hitoshi Goto , Chandler Greenwell , Rui Guo , Jürgen Harter , Julian Helfferich , Johannes Hoja , John Hone , Richard Hong , Michal Hušák , Yasuhiro Ikabata , Olexandr Isayev , Ommair Ishaque , Varsha Jain , Yingdi Jin , Aling Jing , Erin R Johnson , Ian Jones , K V Jovan Jose , Elena A Kabova , Adam Keates , Paul F Kelly , Jiří Klimeš , Veronika Kostková , He Li , Xiaolu Lin , Alexander List , Congcong Liu , Yifei Michelle Liu , Zenghui Liu , Ivor Lončarić , Joseph W Lubach , Jan Ludík , Alexander A Maryewski , Noa Marom , Hiroyuki Matsui , Alessandra Mattei , R Alex Mayo , John W Melkumov , Bruno Mladineo , Sharmarke Mohamed , Zahrasadat Momenzadeh Abardeh , Hari S Muddana , Naofumi Nakayama , Kamal Singh Nayal , Marcus A Neumann , Rahul Nikhar , Shigeaki Obata , Dana O'Connor , Artem R Oganov , Koji Okuwaki , Alberto Otero-de-la-Roza , Sean Parkin , Antonio Parunov , Rafał Podeszwa , Alastair J A Price , Louise S Price , Sarah L Price , Michael R Probert , Angeles Pulido , Gunjan Rajendra Ramteke , Atta Ur Rehman , Susan M Reutzel-Edens , Jutta Rogal , Marta J Ross , Adrian F Rumson , Ghazala Sadiq , Zeinab M Saeed , Alireza Salimi , Kiran Sasikumar , Sivakumar Sekharan , Kenneth Shankland , Baimei Shi , Xuekun Shi , Kotaro Shinohara , A Geoffrey Skillman , Hongxing Song , Nina Strasser , Jacco van de Streek , Isaac J Sugden , Guangxu Sun , Krzysztof Szalewicz , Lu Tan , Kehan Tang , Frank Tarczynski , Christopher R Taylor , Alexandre Tkatchenko , Petr Touš , Mark E Tuckerman , Pablo A Unzueta , Yohei Utsumi , Leslie Vogt-Maranto , Jake Weatherston , Luke J Wilkinson , Robert D Willacy , Lukasz Wojtas , Grahame R Woollam , Yi Yang , Zhuocen Yang , Etsuo Yonemochi , Xin Yue , Qun Zeng , Tian Zhou , Yunfei Zhou , Roman Zubatyuk , Jason C Cole

Réseau de co-auteurs

Alexandre Tkatchenko 76 collaborations
Klaus-Robert Müller 10 collaborations
Igor Poltavsky 9 collaborations
Stefan Chmiela 8 collaborations
Martin Stöhr 6 collaborations
Huziel E Sauceda 6 collaborations
Dmitry V Fedorov 6 collaborations
Jan Hermann 6 collaborations
Sameer Varma 5 collaborations
Szabolcs Góger 5 collaborations
Johannes Hoja 5 collaborations
Vered Wineman-Fisher 4 collaborations
Yasmine Al-Hamdani 4 collaborations
Michael Gastegger 4 collaborations
Robert A DiStasio 4 collaborations
Marcus A Neumann 4 collaborations
Bipeng Wang 4 collaborations
Oleg V Prezhdo 4 collaborations
Matteo Barborini 4 collaborations
Yasmine S Al-Hamdani 3 collaborations
Oliver T Unke 3 collaborations
Gregory Fonseca 3 collaborations
Alberto Ambrosetti 3 collaborations
Weibin Chu 3 collaborations
Wengen Ouyang 3 collaborations
Leeor Kronik 3 collaborations
Michael Urbakh 3 collaborations
Oded Hod 3 collaborations
Matej Ditte 3 collaborations
Mohammad Reza Karimpour 3 collaborations
Doris E Braun 3 collaborations
Hanno Dietrich 3 collaborations
Dzmitry Firaha 3 collaborations
Julian Helfferich 3 collaborations
Yifei Michelle Liu 3 collaborations
Alessandra Mattei 3 collaborations
Susan M Reutzel-Edens 3 collaborations
Kiran Sasikumar 3 collaborations
Jacco van de Streek 3 collaborations
Grahame R Woollam 3 collaborations
Péter R Nagy 3 collaborations
Jorge Charry 3 collaborations
K T Schütt 2 collaborations
M Gastegger 2 collaborations
K-R Müller 2 collaborations
Sanim Rahman 2 collaborations
Dennis Barton 2 collaborations
Troy Van Voorhis 2 collaborations
Bingqing Cheng 2 collaborations
Joshua T Berryman 2 collaborations
Almaz Khabibrakhmanov 2 collaborations
Christian Wagner 2 collaborations
Petra Tegeder 2 collaborations
F Stefan Tautz 2 collaborations
Alessio Fallani 2 collaborations
Michele Ceriotti 2 collaborations
R J Maurer 2 collaborations
Adil Kabylda 2 collaborations
Brian G Ernst 2 collaborations
Carolin Müller 2 collaborations
Matteo Gori 2 collaborations
Paul Hauseux 2 collaborations
Stéphane P A Bordas 2 collaborations
Wei Bin How 2 collaborations
Lily M Hunnisett 2 collaborations
Jonas Nyman 2 collaborations
Nicholas Francia 2 collaborations
Nathan S Abraham 2 collaborations
Srinivasulu Aitipamula 2 collaborations
Tamador Alkhidir 2 collaborations
Mubarak Almehairbi 2 collaborations
Andrea Anelli 2 collaborations
Dylan M Anstine 2 collaborations
John E Anthony 2 collaborations
Joseph E Arnold 2 collaborations
Faezeh Bahrami 2 collaborations
Michael A Bellucci 2 collaborations
Rajni M Bhardwaj 2 collaborations
Joanna A Bis 2 collaborations
A Daniel Boese 2 collaborations
James Bramley 2 collaborations
Jan Gerit Brandenburg 2 collaborations
Patrick W V Butler 2 collaborations
Joseph Cadden 2 collaborations
Stephen Carino 2 collaborations
Eric J Chan 2 collaborations
Chao Chang 2 collaborations
Sarah M Clarke 2 collaborations
Simon J Coles 2 collaborations
Richard I Cooper 2 collaborations
Tom Darden 2 collaborations
Graeme M Day 2 collaborations
Antonio DiPasquale 2 collaborations
Bhausaheb Dhokale 2 collaborations
Bouke P van Eijck 2 collaborations
Mark R J Elsegood 2 collaborations
Wenbo Fu 2 collaborations
Kaori Fukuzawa 2 collaborations
Hitoshi Goto 2 collaborations
Chandler Greenwell 2 collaborations
Rui Guo 2 collaborations
Jürgen Harter 2 collaborations
John Hone 2 collaborations
Richard Hong 2 collaborations
Yasuhiro Ikabata 2 collaborations
Olexandr Isayev 2 collaborations
Ommair Ishaque 2 collaborations
Varsha Jain 2 collaborations
Yingdi Jin 2 collaborations
Aling Jing 2 collaborations
Erin R Johnson 2 collaborations
Ian Jones 2 collaborations
K V Jovan Jose 2 collaborations
Elena A Kabova 2 collaborations
Adam Keates 2 collaborations
Paul F Kelly 2 collaborations
He Li 2 collaborations
Xiaolu Lin 2 collaborations
Alexander List 2 collaborations
Congcong Liu 2 collaborations
Zenghui Liu 2 collaborations
Joseph W Lubach 2 collaborations
Noa Marom 2 collaborations
Alexander A Maryewski 2 collaborations
Hiroyuki Matsui 2 collaborations
R Alex Mayo 2 collaborations
John W Melkumov 2 collaborations
Sharmarke Mohamed 2 collaborations
Hari S Muddana 2 collaborations
Naofumi Nakayama 2 collaborations
Kamal Singh Nayal 2 collaborations
Rahul Nikhar 2 collaborations
Shigeaki Obata 2 collaborations
Dana O'Connor 2 collaborations
Artem R Oganov 2 collaborations
Koji Okuwaki 2 collaborations
Sean Parkin 2 collaborations
Rafał Podeszwa 2 collaborations
Alastair J A Price 2 collaborations
Louise S Price 2 collaborations
Sarah L Price 2 collaborations
Michael R Probert 2 collaborations
Angeles Pulido 2 collaborations
Gunjan Rajendra Ramteke 2 collaborations
Atta Ur Rehman 2 collaborations
Jutta Rogal 2 collaborations
Marta J Ross 2 collaborations
Adrian F Rumson 2 collaborations
Ghazala Sadiq 2 collaborations
Zeinab M Saeed 2 collaborations
Alireza Salimi 2 collaborations
Sivakumar Sekharan 2 collaborations
Kenneth Shankland 2 collaborations
Kotaro Shinohara 2 collaborations
Baimei Shi 2 collaborations
Xuekun Shi 2 collaborations
A Geoffrey Skillman 2 collaborations
Hongxing Song 2 collaborations
Nina Strasser 2 collaborations
Isaac J Sugden 2 collaborations
Guangxu Sun 2 collaborations
Krzysztof Szalewicz 2 collaborations
Lu Tan 2 collaborations
Frank Tarczynski 2 collaborations
Christopher R Taylor 2 collaborations
Mark E Tuckerman 2 collaborations
Yohei Utsumi 2 collaborations
Leslie Vogt-Maranto 2 collaborations
Jake Weatherston 2 collaborations
Luke J Wilkinson 2 collaborations
Robert D Willacy 2 collaborations
Lukasz Wojtas 2 collaborations
Zhuocen Yang 2 collaborations
Etsuo Yonemochi 2 collaborations
Xin Yue 2 collaborations
Qun Zeng 2 collaborations
Tian Zhou 2 collaborations
Yunfei Zhou 2 collaborations
Roman Zubatyuk 2 collaborations
Jason C Cole 2 collaborations
Reut Sofer 2 collaborations
Xiang Gao 2 collaborations
Iqbal Addou 1 collaboration
P Kessel 1 collaboration
K A Nicoli 1 collaboration
Evgeny Epifanovsky 1 collaboration
Andrew T B Gilbert 1 collaboration
Xintian Feng 1 collaboration
Joonho Lee 1 collaboration
Yuezhi Mao 1 collaboration
Narbe Mardirossian 1 collaboration
Pavel Pokhilko 1 collaboration
Alec F White 1 collaboration
Marc P Coons 1 collaboration
Adrian L Dempwolff 1 collaboration
Zhengting Gan 1 collaboration
Diptarka Hait 1 collaboration
Paul R Horn 1 collaboration
Leif D Jacobson 1 collaboration
Ilya Kaliman 1 collaboration
Jörg Kussmann 1 collaboration
Adrian W Lange 1 collaboration
Ka Un Lao 1 collaboration
Daniel S Levine 1 collaboration
Jie Liu 1 collaboration
Simon C McKenzie 1 collaboration
Adrian F Morrison 1 collaboration
Kaushik D Nanda 1 collaboration
Felix Plasser 1 collaboration
Dirk R Rehn 1 collaboration
Marta L Vidal 1 collaboration
Zhi-Qiang You 1 collaboration
Ying Zhu 1 collaboration
Bushra Alam 1 collaboration
Benjamin J Albrecht 1 collaboration
Abdulrahman Aldossary 1 collaboration
Ethan Alguire 1 collaboration
Josefine H Andersen 1 collaboration
Vishikh Athavale 1 collaboration
Khadiza Begam 1 collaboration
Andrew Behn 1 collaboration
Nicole Bellonzi 1 collaboration
Yves A Bernard 1 collaboration
Eric J Berquist 1 collaboration
Hugh G A Burton 1 collaboration
Abel Carreras 1 collaboration
Kevin Carter-Fenk 1 collaboration
Romit Chakraborty 1 collaboration
Alan D Chien 1 collaboration
Kristina D Closser 1 collaboration
Vale Cofer-Shabica 1 collaboration
Saswata Dasgupta 1 collaboration
Marc de Wergifosse 1 collaboration
Jia Deng 1 collaboration
Michael Diedenhofen 1 collaboration
Hainam Do 1 collaboration
Sebastian Ehlert 1 collaboration
Po-Tung Fang 1 collaboration
Shervin Fatehi 1 collaboration
Qingguo Feng 1 collaboration
Triet Friedhoff 1 collaboration
James Gayvert 1 collaboration
Qinghui Ge 1 collaboration
Gergely Gidofalvi 1 collaboration
Matthew Goldey 1 collaboration
Joe Gomes 1 collaboration
Sahil Gulania 1 collaboration
Anastasia O Gunina 1 collaboration
Phillip H P Harbach 1 collaboration
Andreas Hauser 1 collaboration
Michael F Herbst 1 collaboration
Mario Hernández Vera 1 collaboration
Manuel Hodecker 1 collaboration
Zachary C Holden 1 collaboration
Shannon Houck 1 collaboration
Xunkun Huang 1 collaboration
Kerwin Hui 1 collaboration
Bang C Huynh 1 collaboration
Maxim Ivanov 1 collaboration
Ádám Jász 1 collaboration
Hyunjun Ji 1 collaboration
Hanjie Jiang 1 collaboration
Benjamin Kaduk 1 collaboration
Sven Kähler 1 collaboration
Kirill Khistyaev 1 collaboration
Jaehoon Kim 1 collaboration
Gergely Kis 1 collaboration
Phil Klunzinger 1 collaboration
Zsuzsanna Koczor-Benda 1 collaboration
Joong Hoon Koh 1 collaboration
Dimitri Kosenkov 1 collaboration
Laura Koulias 1 collaboration
Tim Kowalczyk 1 collaboration
Caroline M Krauter 1 collaboration
Karl Kue 1 collaboration
Alexander Kunitsa 1 collaboration
Thomas Kus 1 collaboration
István Ladjánszki 1 collaboration
Arie Landau 1 collaboration
Keith V Lawler 1 collaboration
Daniel Lefrancois 1 collaboration
Susi Lehtola 1 collaboration
Run R Li 1 collaboration
Yi-Pei Li 1 collaboration
Jiashu Liang 1 collaboration
Marcus Liebenthal 1 collaboration
Hung-Hsuan Lin 1 collaboration
You-Sheng Lin 1 collaboration
Fenglai Liu 1 collaboration
Kuan-Yu Liu 1 collaboration
Matthias Loipersberger 1 collaboration
Arne Luenser 1 collaboration
Aaditya Manjanath 1 collaboration
Prashant Manohar 1 collaboration
Erum Mansoor 1 collaboration
Sam F Manzer 1 collaboration
Shan-Ping Mao 1 collaboration
Aleksandr V Marenich 1 collaboration
Thomas Markovich 1 collaboration
Stephen Mason 1 collaboration
Simon A Maurer 1 collaboration
Peter F McLaughlin 1 collaboration
Jan-Michael Mewes 1 collaboration
Stefanie A Mewes 1 collaboration
Pierpaolo Morgante 1 collaboration
J Wayne Mullinax 1 collaboration
Katherine J Oosterbaan 1 collaboration
Garrette Paran 1 collaboration
Alexander C Paul 1 collaboration
Suranjan K Paul 1 collaboration
Fabijan Pavošević 1 collaboration
Zheng Pei 1 collaboration
Stefan Prager 1 collaboration
Emil I Proynov 1 collaboration
Ádám Rák 1 collaboration
Eloy Ramos-Cordoba 1 collaboration
Bhaskar Rana 1 collaboration
Alan E Rask 1 collaboration
Adam Rettig 1 collaboration
Ryan M Richard 1 collaboration
Fazle Rob 1 collaboration
Elliot Rossomme 1 collaboration
Tarek Scheele 1 collaboration
Maximilian Scheurer 1 collaboration
Matthias Schneider 1 collaboration
Nickolai Sergueev 1 collaboration
Shaama M Sharada 1 collaboration
Wojciech Skomorowski 1 collaboration
David W Small 1 collaboration
Christopher J Stein 1 collaboration
Yu-Chuan Su 1 collaboration
Eric J Sundstrom 1 collaboration
Zhen Tao 1 collaboration
Jonathan Thirman 1 collaboration
Gábor J Tornai 1 collaboration
Takashi Tsuchimochi 1 collaboration
Norm M Tubman 1 collaboration
Srimukh Prasad Veccham 1 collaboration
Oleg Vydrov 1 collaboration
Jan Wenzel 1 collaboration
Jon Witte 1 collaboration
Atsushi Yamada 1 collaboration
Kun Yao 1 collaboration
Sina Yeganeh 1 collaboration
Shane R Yost 1 collaboration
Alexander Zech 1 collaboration
Igor Ying Zhang 1 collaboration
Xing Zhang 1 collaboration
Yu Zhang 1 collaboration
Dmitry Zuev 1 collaboration
Alán Aspuru-Guzik 1 collaboration
Alexis T Bell 1 collaboration
Nicholas A Besley 1 collaboration
Ksenia B Bravaya 1 collaboration
Bernard R Brooks 1 collaboration
David Casanova 1 collaboration
Jeng-Da Chai 1 collaboration
Sonia Coriani 1 collaboration
Christopher J Cramer 1 collaboration
György Cserey 1 collaboration
A Eugene DePrince 1 collaboration
Andreas Dreuw 1 collaboration
Barry D Dunietz 1 collaboration
Thomas R Furlani 1 collaboration
William A Goddard 1 collaboration
Sharon Hammes-Schiffer 1 collaboration
Teresa Head-Gordon 1 collaboration
Warren J Hehre 1 collaboration
Chao-Ping Hsu 1 collaboration
Thomas-C Jagau 1 collaboration
Yousung Jung 1 collaboration
Andreas Klamt 1 collaboration
Jing Kong 1 collaboration
Daniel S Lambrecht 1 collaboration
WanZhen Liang 1 collaboration
Nicholas J Mayhall 1 collaboration
C William McCurdy 1 collaboration
Jeffrey B Neaton 1 collaboration
Christian Ochsenfeld 1 collaboration
John A Parkhill 1 collaboration
Roberto Peverati 1 collaboration
Vitaly A Rassolov 1 collaboration
Yihan Shao 1 collaboration
Lyudmila V Slipchenko 1 collaboration
Tim Stauch 1 collaboration
Ryan P Steele 1 collaboration
Joseph E Subotnik 1 collaboration
Alex J W Thom 1 collaboration
Donald G Truhlar 1 collaboration
Tomasz A Wesolowski 1 collaboration
K Birgitta Whaley 1 collaboration
H Lee Woodcock 1 collaboration
Paul M Zimmerman 1 collaboration
Shirin Faraji 1 collaboration
Peter M W Gill 1 collaboration
Martin Head-Gordon 1 collaboration
John M Herbert 1 collaboration
Anna I Krylov 1 collaboration
John A Keith 1 collaboration
Stefan Ganscha 1 collaboration
Thomas Unterthiner 1 collaboration
Hartmut Maennel 1 collaboration
Sergii Kashubin 1 collaboration
Daniel Ahlin 1 collaboration
Ornella Vaccarelli 1 collaboration
Victor G Ruiz 1 collaboration
Friedrich Maaß 1 collaboration
Hadi H Arefi 1 collaboration
Stephan Stremlau 1 collaboration
Dries Van Rompaey 1 collaboration
Mathias Hilfiker 1 collaboration
David Hahn 1 collaboration
Laura Perez-Benito 1 collaboration
Jonas Verhoeven 1 collaboration
Gary Tresadern 1 collaboration
Joerg Kurt Wegner 1 collaboration
Hugo Ceulemans 1 collaboration
E Slootman 1 collaboration
I Poltavsky 1 collaboration
R Shinde 1 collaboration
J Cocomello 1 collaboration
S Moroni 1 collaboration
C Filippi 1 collaboration
Paraskevi Gkeka 1 collaboration
Gabriel Stoltz 1 collaboration
Amir Barati Farimani 1 collaboration
Zineb Belkacemi 1 collaboration
John D Chodera 1 collaboration
Aaron R Dinner 1 collaboration
Andrew L Ferguson 1 collaboration
Jean-Bernard Maillet 1 collaboration
Hervé Minoux 1 collaboration
Christine Peter 1 collaboration
Fabio Pietrucci 1 collaboration
Ana Silveira 1 collaboration
Zofia Trstanova 1 collaboration
Rafal Wiewiora 1 collaboration
Tony Lelièvre 1 collaboration
B Hourahine 1 collaboration
B Aradi 1 collaboration
V Blum 1 collaboration
F Bonafé 1 collaboration
A Buccheri 1 collaboration
C Camacho 1 collaboration
C Cevallos 1 collaboration
M Y Deshaye 1 collaboration
T Dumitrică 1 collaboration
A Dominguez 1 collaboration
S Ehlert 1 collaboration
M Elstner 1 collaboration
T van der Heide 1 collaboration
J Hermann 1 collaboration
S Irle 1 collaboration
J J Kranz 1 collaboration
C Köhler 1 collaboration
T Kowalczyk 1 collaboration
T Kubař 1 collaboration
I S Lee 1 collaboration
V Lutsker 1 collaboration
S K Min 1 collaboration
I Mitchell 1 collaboration
C Negre 1 collaboration
T A Niehaus 1 collaboration
A M N Niklasson 1 collaboration
A J Page 1 collaboration
A Pecchia 1 collaboration
G Penazzi 1 collaboration
M P Persson 1 collaboration
J Řezáč 1 collaboration
C G Sánchez 1 collaboration
M Sternberg 1 collaboration
M Stöhr 1 collaboration
F Stuckenberg 1 collaboration
V W-Z Yu 1 collaboration
T Frauenheim 1 collaboration
Prashanth S Venkataram 1 collaboration
Teerit J Vongkovit 1 collaboration
Alejandro W Rodriguez 1 collaboration
Hsin-Yu Ko 1 collaboration
Roberto Car 1 collaboration
Philip Kurian 1 collaboration
Miguel Gallegos 1 collaboration
Ángel Martín Pendás 1 collaboration
Linjie Deng 1 collaboration
Jingyi Ran 1 collaboration
Ariadni Boziki 1 collaboration
Jun Jiang 1 collaboration
Thanh-Tung Nguyen 1 collaboration
Katerine Saleme Ruiz 1 collaboration
Venkat Kapil 1 collaboration
Kwang S Kim 1 collaboration
Matthew F B Green 1 collaboration
Michael Maiworm 1 collaboration
Philipp Leinen 1 collaboration
Taner Esat 1 collaboration
Nicola Ferri 1 collaboration
Niklas Friedrich 1 collaboration
Rolf Findeisen 1 collaboration
Ruslan Temirov 1 collaboration
Friedrich Maass 1 collaboration
Mohsen Ajdari 1 collaboration
Maximilian Vogtland 1 collaboration
Ido Azuri 1 collaboration
Davide Mandelli 1 collaboration
Paolo Umari 1 collaboration
Joshua Elliott 1 collaboration
Alice E A Allen 1 collaboration
Loïc Groslambert 1 collaboration
Yann Cornaton 1 collaboration
Emmanuel Aubert 1 collaboration
Patrick Pale 1 collaboration
Jean-Pierre Djukic 1 collaboration
Victor Mamane 1 collaboration
Sascha Mausenberger 1 collaboration
Philipp Marquetand 1 collaboration
Leticia González 1 collaboration
Julia Westermayr 1 collaboration
Claire S Adjiman 1 collaboration
Imanuel Bier 1 collaboration
David H Bowskill 1 collaboration
Ricky Couch 1 collaboration
Ramon Cuadrado 1 collaboration
Yiming Ding 1 collaboration
Joseph Glover 1 collaboration
Detlef W M Hofmann 1 collaboration
Geoffrey Hutchison 1 collaboration
Dmitry Khakimov 1 collaboration
Liudmila N Kuleshova 1 collaboration
Zhi Pan Liu 1 collaboration
Chris J Pickard 1 collaboration
Luca Pilia 1 collaboration
Tatyana Pivina 1 collaboration
Matteo Salvalaglio 1 collaboration
Cheng Shang 1 collaboration
Benjamin I Tan 1 collaboration
Rithwik Tom 1 collaboration
Yizu Zhang 1 collaboration
Frank Noé 1 collaboration
Cecilia Clementi 1 collaboration
Kristof T Schütt 1 collaboration
Sergiy M Kovalenko 1 collaboration
Wenwu Jiang 1 collaboration
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