Quantum Monte Carlo simulations of solids
This article describes the variational and fixed-node diffusion quantum Monte Carlo methods
and how they may be used to calculate the properties of many-electron systems. These …
and how they may be used to calculate the properties of many-electron systems. These …
Path integrals in the theory of condensed helium
DM Ceperley - Reviews of Modern Physics, 1995 - APS
One of Feynman's early applications of path integrals was to superfluid He 4. He showed
that the thermodynamic properties of Bose systems are exactly equivalent to those of a …
that the thermodynamic properties of Bose systems are exactly equivalent to those of a …
Deep-neural-network solution of the electronic Schrödinger equation
The electronic Schrödinger equation can only be solved analytically for the hydrogen atom,
and the numerically exact full configuration-interaction method is exponentially expensive in …
and the numerically exact full configuration-interaction method is exponentially expensive in …
Artificial intelligence for science in quantum, atomistic, and continuum systems
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …
[BOOK][B] Quantum Monte Carlo approaches for correlated systems
Over the past several decades, computational approaches to studying strongly-interacting
systems have become increasingly varied and sophisticated. This book provides a …
systems have become increasingly varied and sophisticated. This book provides a …
The uniform electron gas at warm dense matter conditions
Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
[HTML][HTML] Ab initio simulation of warm dense matter
Warm dense matter (WDM)—an exotic state of highly compressed matter—has attracted
increased interest in recent years in astrophysics and for dense laboratory systems. At the …
increased interest in recent years in astrophysics and for dense laboratory systems. At the …
[HTML][HTML] Electronic density response of warm dense matter
Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …
Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment
I Kylänpää, HP Komsa - Physical Review B, 2015 - APS
Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal
dichalcogenide sheets of MoS 2, MoSe 2, MoTe 2, WS 2, and WSe 2 are studied by means …
dichalcogenide sheets of MoS 2, MoSe 2, MoTe 2, WS 2, and WSe 2 are studied by means …
First-principles equation of state database for warm dense matter computation
B Militzer, F González-Cataldo, S Zhang, KP Driver… - Physical Review E, 2021 - APS
We put together a first-principles equation of state (FPEOS) database for matter at extreme
conditions by combining results from path integral Monte Carlo and density functional …
conditions by combining results from path integral Monte Carlo and density functional …