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

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

Author(s) -

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 Nanda,

Felix Plasser,

Dirk R. Rehn,

Marta L. Vidal,

Zhi-Qiang You,

Ying Zhu,

Bushra Alam,

Benjamin Albrecht,

Abdulrahman Aldossary,

Ethan Alguire,

Josefine H. Andersen,

Vishikh Athavale,

Dennis L. Barton,

Khadiza Begam,

Andrew Behn,

Nicole Bellonzi,

Yves Bernard,

Eric Berquist,

Hugh G. A. Burton,

Abel Carreras,

Kevin Carter-Fenk,

Romit Chakraborty,

Alan D. Chien,

Kristina D. Closser,

D. 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 R. Gayvert,

Qinghui Ge,

Gergely Gidofalvi,

Matthew Goldey,

Joe Gomes,

Cristina E. GonzálezEspinoza,

Sahil Gulania,

Anastasia O. Gunina,

Magnus W. D. HansonHeine,

Phillip H. P. Harbach,

Andreas Hauser,

Michael F. Herbst,

Mario Hernández Vera,

Manuel Hodecker,

Zachary C. Holden,

Shan E. 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,

Dmytro Kosenkov,

Laura Koulias,

Tim Kowalczyk,

Caroline M. Krauter,

Karl Y. Kue,

Alexander A. Kunitsa,

Thomas Kus,

István Ladjánszki,

Arie Landau,

Keith V. Lawler,

Daniel Lefrancois,

Susi Lehtola,

Run R. Li,

YiPei Li,

Jiashu Liang,

Marcus D. Liebenthal,

Hung-Hsuan Lin,

You-Sheng Lin,

Fenglai Liu,

KuanYu Liu,

Matthias Loipersberger,

Arne Luenser,

Aaditya Manjanath,

Prashant Uday Manohar,

Erum Mansoor,

Sam F. Manzer,

Shan-Ping Mao,

Aleksandr V. Marenich,

Thomas Markovich,

Stephen E. Mason,

Simon A. Maurer,

Peter F. McLaughlin,

Maximilian F. S. J. Menger,

JanMichael Mewes,

Stefanie A. Mewes,

Pierpaolo Morgante,

J. Wayne Mullinax,

Katherine J. Oosterbaan,

Garrette Pauley Paran,

Alexander C. Paul,

Suranjan K. Paul,

Fabijan Pavošević,

Zheng Pei,

Stefan Prager,

Emil Proynov,

Ádám Rák,

Eloy RamosCordoba,

Bhaskar Rana,

Alan E. Rask,

Adam Rettig,

Ryan M. Richard,

Fazle Rob,

Elliot Rossomme,

Tarek Scheele,

Maximilian Scheurer,

Matthias Schneider,

Nickolai Sergueev,

Shaama Mallikarjun Sharada,

Wojciech Skomorowski,

David W. Small,

Christopher J. Stein,

Yu-Chuan Su,

Eric J. Sundstrom,

Zhen Tao,

Jonathan Thirman,

Gábor János Tornai,

Takashi Tsuchimochi,

Norm M. Tubman,

Srimukh Prasad Veccham,

Oleg A. 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 AspuruGuzik,

Alexis T. Bell,

Nicholas A. Besley,

Ksenia B. Bravaya,

Bernard R. Brooks,

David Casanova,

JengDa 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 HammesSchiffer,

Teresa HeadGordon,

Warren J. Hehre,

ChaoPing Hsu,

ThomasC. Jagau,

Yousung Jung,

Andreas Klamt,

Jing Kong,

Daniel S. Lambrecht,

WanZhen Liang,

Nicholas J. Mayhall,

C. William McCurdy,

Jeffrey B. Neaton,

Christian Ochsenfeld,

John 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. Wesołowski,

K. Birgitta Whaley,

H. Lee Woodcock,

Paul M. Zimmerman,

Shirin Faraji,

Peter M. W. Gill,

Martin HeadGordon,

John M. Herbert,

Anna I. Krylov

Publication year - 2021

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/5.0055522

Subject(s) - computer science , computational science , diagrammatic reasoning , graphics , suite , software , coupled cluster , quantum chemistry , chemistry , computational chemistry , theoretical computer science , programming language , computer graphics (images) , archaeology , organic chemistry , electrode , molecule , electrochemistry , history

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