All papers authored by Sotiris Xantheas
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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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2021
Joseph P. Heindel ,
Sotiris S. Xantheas
,
Sotiris S. Xantheas
Molecular Dynamics Driven by the Many-Body Expansion (MBE-MD)
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Kristina M. Herman ,
Joseph P. Heindel ,
Sotiris S. Xantheas
,
Joseph P. Heindel ,
Sotiris S. Xantheas
The many-body expansion for aqueous systems revisited: III. Hofmeister ion–water interactions
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2020
Joseph P. Heindel ,
Sotiris S. Xantheas
,
Sotiris S. Xantheas
The Many-Body Expansion for Aqueous Systems Revisited: I. Water–Water Interactions
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Jenna A. Bilbrey,
Joseph P. Heindel ,
Malachi Schram,
Pradipta Bandyopadhyay,
Sotiris S. Xantheas ,
Sutanay Choudhury
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,
Malachi Schram,
Pradipta Bandyopadhyay,
Sotiris S. Xantheas ,
Sutanay Choudhury
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Martin Mayer ,
Valentin van Lessen,
Markus Rohdenburg ,
Gao-Lei Hou ,
Zheng Yang ,
Rüdiger M. Exner ,
Edoardo Aprà ,
Vladimir A. Azov ,
Simon Grabowsky ,
Sotiris S. Xantheas ,
Knut R. Asmis ,
Xue-Bin Wang ,
Carsten Jenne ,
Jonas Warneke
,
Valentin van Lessen,
Markus Rohdenburg ,
Gao-Lei Hou ,
Zheng Yang ,
Rüdiger M. Exner ,
Edoardo Aprà ,
Vladimir A. Azov ,
Simon Grabowsky ,
Sotiris S. Xantheas ,
Knut R. Asmis ,
Xue-Bin Wang ,
Carsten Jenne ,
Jonas Warneke
Rational design of an argon-binding superelectrophilic anion
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T. B. Ward,
E. Miliordos,
P. D. Carnegie,
S. S. Xantheas ,
M. A. Duncan
,
M. A. Duncan
Ortho-para interconversion in cation-water complexes: The case of V+(H2O) and Nb+(H2O) clusters
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Conrad T. Wolke,
Joseph A. Fournier,
Evangelos Miliordos,
Shawn M. Kathmann,
Sotiris S. Xantheas ,
Mark A. Johnson
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,
Mark A. Johnson
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Soohaeng Yoo Willow,
Xiao Cheng Zeng,
Sotiris S. Xantheas ,
Kwang S. Kim,
So Hirata
,
Kwang S. Kim,
So Hirata
Why Is MP2-Water “Cooler” and “Denser” than DFT-Water?
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