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1 . Report
Evolutionary optimization of PAW data-sets for accurate high pressure simulations
저자
by
Sarkar, Kanchan
;
Topsakal, Mehmet
;
Holzwarth, N. A. W.
;
Wentzcovitch, Renata M.
.
소스
Journal of Computational Physics Volume 347, 15 October 2017, Pages 39-55
Open Access (Arxiv)
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6 . Report
Exact Ground State Energy of Hubbard Rings in the Atomic Limit
저자
by
Hodge, W. B.
;
Holzwarth, N. A. W.
;
Kerr, W. C.
.
소스
Open Access (Arxiv)
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5 . Academic Journal
Cu
2
ZnSnS
x
O
4-x
and Cu
2
ZnSnS
x
O
4-x
: First principles simulations of optimal alloy configurations and their energies.
저자
by
Chaochao Dun
;
Holzwarth, N. A. W.
;
Yuan Li
;
Wenxiao Huang
;
Carroll, David L.
.
소스
Journal of Applied Physics
. 2014, Vol. 115 Issue 19, p193513-1-193513-12. 12p. 3 Diagrams, 7 Charts, 6 Graphs.
Full Text (AIP)
Web of Science
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7 . Academic Journal
Computational Investigation of the Electrolyte Properties of Li
12
P
3
N
9
and Its High Pressure Polymorph Li
4
PN
3
through FirstPrinciples Simulations.
저자
by
Al-Qawasmeh, Ahmad
;
Obeidat, Abdalla
;
Shukri, Abdullah Atef
;
Holzwarth, N. A. W.
.
소스
Journal of The Electrochemical Society; Apr2020, Vol. 167 Issue 6, p1-11, 11p
Full Text (IOP)
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6 . Academic Journal
Local density pseudopotential calculations for molecules: O2 and Mo2O2S2(S2)2-2.
저자
by
Bernholc, J.
;
Holzwarth, N. A. W.
.
소스
Journal of Chemical Physics; Nov1984, Vol. 81 Issue 9, p3987-3995, 9p
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4 . Academic Journal
Infrared circular dichroism and linear dichroism of liquid crystals.
저자
by
Holzwarth, G.
;
Chabay, Ilan
;
Holzwarth, N. A. W.
.
소스
Journal of Chemical Physics; Jun1973, Vol. 58 Issue 11, p4816-4819, 4p
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5 . Academic Journal
Li
4
SnS
4
and Li
4
SnSe
4
: Simulations of Their Structure and Electrolyte Properties.
저자
by
Al-Qawasmeh, Ahmad
;
Howard, Jason
;
Holzwarth, N. A. W.
.
소스
Journal of The Electrochemical Society; 2017, Vol. 164 Issue 1, pA6386-A6394, 9p
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5 . Academic Journal
Modeling interfaces between solids: Application to Li battery materials.
저자
by
Lepley, N. D.
;
Holzwarth, N. A. W.
.
소스
Physical Review B: Condensed Matter & Materials Physics
. Dec2015, Vol. 92 Issue 21, p1-15. 15p.
Scopus
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4 . Academic Journal
Computational and experimental (re)investigation of the structural and electrolyte properties of Li4P2S6, Na4P2S6, and Li2Na2P2S6
저자
by
Li, Yan
;
Hood, Zachary D.
;
Holzwarth, N. A. W.
.
소스
PHYSICAL REVIEW MATERIALS
; APR 21 2020, 4 4, p045406 18p.
Scopus
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5 . Academic Journal
Computational Investigation of the Electrolyte Properties of Li12P3N9 and Its High Pressure Polymorph Li4PN3 through First-Principles Simulations
저자
by
Al-Qawasmeh, Ahmad
;
Obeidat, Abdalla
;
Shukri, Abdullah Atef
;
Holzwarth, N. A. W.
.
소스
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
; MAR 19 2020, 167 6, p060505 11p.
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