All papers authored by Anders Niklasson
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2023
Rosa Di Felice 
,
Maricris L. Mayes,
Ryan M. Richard,
David B. Williams-Young ,
Garnet Kin-Lic Chan,
Wibe A. de Jong ,
Niranjan Govind ,
Martin Head-Gordon ,
Matthew R. Hermes ,
Karol Kowalski ,
Xiaosong Li ,
Hans Lischka ,
Karl T. Mueller ,
Erdal Mutlu,
Anders M. N. Niklasson
and 10 other authors
,
Maricris L. Mayes,
Ryan M. Richard,
David B. Williams-Young ,
Garnet Kin-Lic Chan,
Wibe A. de Jong ,
Niranjan Govind ,
Martin Head-Gordon ,
Matthew R. Hermes ,
Karol Kowalski ,
Xiaosong Li ,
Hans Lischka ,
Karl T. Mueller ,
Erdal Mutlu,
Anders M. N. Niklasson
and 10 other authors
A Perspective on Sustainable Computational Chemistry Software Development and Integration
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2022
B. Hourahine ,
B. Aradi ,
V. Blum ,
F. Bonafé,
A. Buccheri ,
C. Camacho ,
C. Cevallos ,
M. Y. Deshaye,
T. Dumitrică ,
A. Dominguez,
S. Ehlert ,
M. Elstner,
T. van der Heide ,
J. Hermann ,
S. Irle
and 25 other authors
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,
B. Aradi ,
V. Blum ,
F. Bonafé,
A. Buccheri ,
C. Camacho ,
C. Cevallos ,
M. Y. Deshaye,
T. Dumitrică ,
A. Dominguez,
S. Ehlert ,
M. Elstner,
T. van der Heide ,
J. Hermann ,
S. Irle
and 25 other authors
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2020
Guoqing Zhou ,
Ben Nebgen ,
Nicholas Lubbers,
Walter Malone ,
Anders M. N. Niklasson ,
Sergei Tretiak
,
Ben Nebgen ,
Nicholas Lubbers,
Walter Malone ,
Anders M. N. Niklasson ,
Sergei Tretiak
Graphics Processing Unit-Accelerated Semiempirical Born Oppenheimer Molecular Dynamics Using PyTorch
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B. Hourahine ,
B. Aradi ,
V. Blum ,
F. Bonafé ,
A. Buccheri ,
C. Camacho ,
C. Cevallos ,
M. Y. Deshaye,
T. Dumitrică ,
A. Dominguez,
S. Ehlert ,
M. Elstner,
T. van der Heide,
J. Hermann ,
S. Irle
and 24 other authors
Upload
,
B. Aradi ,
V. Blum ,
F. Bonafé ,
A. Buccheri ,
C. Camacho ,
C. Cevallos ,
M. Y. Deshaye,
T. Dumitrică ,
A. Dominguez,
S. Ehlert ,
M. Elstner,
T. van der Heide,
J. Hermann ,
S. Irle
and 24 other authors
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2016
Anders M. N. Niklasson ,
Susan M. Mniszewski,
Christian F. A. Negre,
Marc J. Cawkwell,
Pieter J. Swart,
Jamal Mohd-Yusof,
Timothy C. Germann,
Michael E. Wall ,
Nicolas Bock,
Emanuel H. Rubensson,
Hristo Djidjev
,
Susan M. Mniszewski,
Christian F. A. Negre,
Marc J. Cawkwell,
Pieter J. Swart,
Jamal Mohd-Yusof,
Timothy C. Germann,
Michael E. Wall ,
Nicolas Bock,
Emanuel H. Rubensson,
Hristo Djidjev
Graph-based linear scaling electronic structure theory
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