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Dive into the research topics of 'Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms'. Together they form a unique fingerprint.
Physics & Astronomy
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lithium
density functional theory
orbitals
fast Fourier transformations
flux density
kinetic energy
liquid lithium
materials tests
optimization
atoms
quantum mechanics
electrons
physical properties
simulation
costs
molecular dynamics
geometry
approximation
interactions
Engineering & Materials Science
Density functional theory
Lithium
Fast Fourier transforms
Carrier concentration
Kinetic energy
Atoms
Electrons
Coulomb interactions
Quantum theory
Molecular dynamics
Physical properties
Scalability
Liquids
Geometry
Computer simulation
Costs
Chemical Compounds
Density functional theory
Lithium
Fast Fourier transforms
Carrier concentration
Kinetic energy
Atoms
Coulomb interactions
Electrons
Quantum theory
Molecular dynamics
Physical properties
Scalability
Liquids
Geometry
Computer simulation
Costs