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Materials Studio
0.0
Modules
Adsorption Locator
0.0019569471624266144
Amorphous Cell
0.005870841487279843
CASTEP
0.050880626223091974
COMPASS
0.015655577299412915
COMPASS III
0.0
Classical Simulations
1.0
DFTB Plus
0.0
DMol3
0.029354207436399216
Discover
0.0
Forcite
0.021526418786692758
GULP
1.0
ONETEP
0.0
QMERA
0.019569471624266144
Quantum Mechanics
0.07240704500978473
Semi-empirical
0.021526418786692758
Sorption
0.003913894324853229
Year
2019
0.0
2020
0.6081081081081081
2021
1.0
2022
0.6756756756756757
2023
0.8108108108108109
2024
0.9324324324324325
2025
0.8378378378378378
2026
0.21621621621621623
Keywords
target
1.0
energy
0.24193548387096775
between
0.23271889400921658
experimental
0.11981566820276497
potential
0.1152073732718894
temperature
0.06912442396313365
chemical
0.06682027649769585
lattice
0.06221198156682028
analysis
0.0576036866359447
large
0.0576036866359447
well
0.055299539170506916
applied
0.04838709677419355
oxygen
0.041474654377880185
formation
0.03917050691244239
role
0.03686635944700461
defect
0.029953917050691243
solid
0.029953917050691243
design
0.02534562211981567
understanding
0.02304147465437788
scale
0.013824884792626729
crystal
0.0069124423963133645
including
0.004608294930875576
type
0.004608294930875576
mechanism
0.0
phonon
0.0
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