Engineering & Materials Science
Potential energy surfaces
100%
Density functional theory
89%
Deep neural networks
73%
Liquids
50%
Water
40%
Thermal conductivity
40%
Fluxes
36%
Hot Temperature
36%
Ground state
22%
Molecular dynamics
16%
Invariance
15%
Gages
14%
Decomposition
10%
Computer simulation
8%
Experiments
5%
Physics & Astronomy
potential energy
51%
heat
49%
density functional theory
46%
water
42%
liquids
39%
thermal conductivity
35%
simulation
28%
gauge invariance
18%
functionals
14%
energy
13%
decomposition
11%
molecular dynamics
10%
deviation
10%
formulations
10%
ground state
9%
conductivity
9%
approximation
7%
electronics
7%
Chemical Compounds
Potential Energy Surface
71%
Heat
55%
Thermal Conductivity
53%
Simulation
47%
Density Functional Theory
46%
Energy
26%
Ground State
14%
Error
14%
Molecular Dynamics
13%
Conductivity
12%
Decomposition
12%
Reaction Yield
7%