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first-principles simulations (keyword)
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journal article EST
/
journal article ENG
Atomic structure, dynamics, changes in chemical bonding and semiconductor-metal transition in Sb2Se3 : A remarkable material for quantum networks and energy applications
Kassem, Mohammad
;
Benmore, Chris J.
;
Tverjanovich, Andrey
;
Bokova, Maria
;
Khomenko, Maxim
;
Usuki, Takeshi
;
Sokolov, Anton
;
Fontanari, Daniele
;
Bereznev, Sergei
;
Ohara, Koji
ACS applied materials & interfaces
2025
/
p. 17075-17095
https://doi.org/10.1021/acsami.5c00008
journal article EST
/
journal article ENG
Number of records 1, displaying
1 - 1
keyword
56
1.
first-principles simulations
2.
first-principles molecular dynamics
3.
agent simulations
4.
building energy performance simulations
5.
building simulations
6.
climate-based simulations
7.
combined relay protection and transient stability simulations
8.
computer simulations
9.
cybersecurity simulations
10.
daylighting simulations
11.
dynamic grounding simulations
12.
energy simulations
13.
environmental simulations
14.
environmental simulations and evaluations
15.
FE simulations
16.
flow simulations
17.
fracture simulations
18.
hygrothermal simulations
19.
Matlab simulations
20.
mechanical simulations
21.
molecular dynamics simulations
22.
numerical FE simulations
23.
numerical simulations
24.
optimized routing approach for critical and emergency networks simulations
25.
power system simulations
26.
quasi-static and dynamic collision simulations
27.
real-time simulations
28.
simulations
29.
simulations of bioinspired materials at all length scales
30.
simulations with software
31.
simulations-driven design
32.
systems simulations
33.
thermal simulations
34.
thermomechanical simulations
35.
thermo-mechanical simulations
36.
thermo‐mechanical simulations
37.
wind simulations
38.
1D drift-diffusion simulations
39.
abstract principles
40.
cohomology and variational principles
41.
constitutional principles
42.
corporate social responsibility principles
43.
design principles of FMS
44.
dual optimisation principles
45.
electoral principles
46.
Hanseatic principles
47.
leading principles
48.
principles of reasoning
49.
resource efficiency and circularity principles to renovation
50.
shading control principles
51.
action-first epistemology
52.
first flush
53.
first harmonic approximation
54.
first stars
55.
first-mile transport
56.
systematic review first section
subject term
1
1.
PFS: First Publisher (tarkvara)
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