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1 . Report
First principles simulations of dense hydrogen
저자
by
Bonitz, Michael
;
Vorberger, Jan
;
Bethkenhagen, Mandy
;
Böhme, Maximilian
;
Ceperley, David
, et al.
소스
Open Access (Arxiv)
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7 . Report
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods
저자
by
Gorelov, Vitaly
;
Holzmann, Markus
;
Ceperley, David M.
;
Pierleoni, Carlo
.
소스
Open Access (Arxiv)
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6 . Report
Training models using forces computed by stochastic electronic structure methods
저자
by
Ceperley, David M.
;
Jensen, Scott
;
Yang, Yubo
;
Niu, Hongwei
;
Pierleoni, Carlo
, et al.
소스
Electron. Struct. 6 (2024) 015011
Open Access (Arxiv)
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7 . Academic Journal
Characterization of molecular-atomic transformation in fluid hydrogen under pressure via long-wavelength asymptote of charge density fluctuations
저자
by
Bryk, Taras
;
Pierleoni, Carlo
;
Ruocco, Giancarlo
;
Seitsonen, Ari Paavo
.
소스
In
Journal of Molecular Liquids
15 August 2020 312
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6 . Report
Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo
저자
by
Niu, Hongwei
;
Yang, Yubo
;
Jensen, Scott
;
Holzmann, Markus
;
Pierleoni, Carlo
, et al.
소스
Phys. Rev. Lett. 130, 076102 (2023)
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7 . Report
Multi-scale simulation of the adsorption of lithium ion on graphite surface: from Quantum Monte Carlo to Molecular Density Functional Theory
저자
by
Ruggeri, Michele
;
Reeves, Kyle
;
Hsu, Tzu-Yao
;
Jeanmairet, Guillaume
;
Salanne, Mathieu
, et al.
소스
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7 . Academic Journal
Multi-scale simulation of the adsorption of lithium ion on graphite surface: From quantum Monte Carlo to molecular density functional theory.
저자
by
Ruggeri, Michele
;
Reeves, Kyle
;
Hsu, Tzu-Yao
;
Jeanmairet, Guillaume
;
Salanne, Mathieu
, et al.
소스
Journal of Chemical Physics
. 3/7/2022, Vol. 156 Issue 9, p1-9. 9p.
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7 . Report
Electronic structure and optical properties of quantum crystals from first principles calculations in the Born-Oppenheimer approximation
저자
by
Gorelov, Vitaly
;
Ceperley, David M.
;
Holzmann, Markus
;
Pierleoni, Carlo
.
소스
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6 . Report
Electronic energy gap closure and metal-insulator transition in dense liquid hydrogen
저자
by
Gorelov, Vitaly
;
Ceperley, David M.
;
Holzmann, Markus
;
Pierleoni, Carlo
.
소스
Phys. Rev. B 102, 195133 (2020)
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6 . Report
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
저자
by
Ruggeri, Michele
;
Holzmann, Markus
;
Ceperley, David M.
;
Pierleoni, Carlo
.
소스
Phys. Rev. B 102, 144108 (2020)
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