All papers authored by Maximilian Scheurer
Refreshing results…
2021
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
and 205 other authors
,
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
and 205 other authors
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Download from zenodo.org
2020
Qiming Sun ,
Xing Zhang ,
Samragni Banerjee,
Peng Bao,
Marc Barbry ,
Nick S. Blunt ,
Nikolay A. Bogdanov,
George H. Booth ,
Jia Chen ,
Zhi-Hao Cui ,
Janus J. Eriksen ,
Yang Gao ,
Sheng Guo ,
Jan Hermann ,
Matthew R. Hermes
and 34 other authors
,
Xing Zhang ,
Samragni Banerjee,
Peng Bao,
Marc Barbry ,
Nick S. Blunt ,
Nikolay A. Bogdanov,
George H. Booth ,
Jia Chen ,
Zhi-Hao Cui ,
Janus J. Eriksen ,
Yang Gao ,
Sheng Guo ,
Jan Hermann ,
Matthew R. Hermes
and 34 other authors
Recent developments in the PySCF program package
Download from aip.scitation.org
Daniel G. A. Smith ,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
Psi4 1.4: Open-source software for high-throughput quantum chemistry
Download from aip.scitation.org
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