Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …
method in chemistry, physics, and materials science, with thousands of calculations cited …
Dense nuclear matter equation of state from heavy-ion collisions
The nuclear equation of state (EOS) is at the center of numerous theoretical and
experimental efforts in nuclear physics. With advances in microscopic theories for nuclear …
experimental efforts in nuclear physics. With advances in microscopic theories for nuclear …
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi… - Journal of chemical …, 2023 - ACS Publications
The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
Quantum decoherence
M Schlosshauer - Physics Reports, 2019 - Elsevier
Quantum decoherence plays a pivotal role in the dynamical description of the quantum-to-
classical transition and is the main impediment to the realization of devices for quantum …
classical transition and is the main impediment to the realization of devices for quantum …
Ab initio nonadiabatic quantum molecular dynamics
BFE Curchod, TJ Martínez - Chemical reviews, 2018 - ACS Publications
The Born–Oppenheimer approximation underlies much of chemical simulation and provides
the framework defining the potential energy surfaces that are used for much of our pictorial …
the framework defining the potential energy surfaces that are used for much of our pictorial …
Wigner formulation of thermal transport in solids
Two different heat-transport mechanisms are discussed in solids. In crystals, heat carriers
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …
From quantum chaos and eigenstate thermalization to statistical mechanics and thermodynamics
This review gives a pedagogical introduction to the eigenstate thermalization hypothesis
(ETH), its basis, and its implications to statistical mechanics and thermodynamics. In the first …
(ETH), its basis, and its implications to statistical mechanics and thermodynamics. In the first …
Non-Gaussian quantum states and where to find them
M Walschaers - PRX quantum, 2021 - APS
Gaussian states have played an important role in the physics of continuous-variable
quantum systems. They are appealing for the experimental ease with which they can be …
quantum systems. They are appealing for the experimental ease with which they can be …
Photonic spin-controlled multifunctional shared-aperture antenna array
E Maguid, I Yulevich, D Veksler, V Kleiner… - Science, 2016 - science.org
The shared-aperture phased antenna array developed in the field of radar applications is a
promising approach for increased functionality in photonics. The alliance between the …
promising approach for increased functionality in photonics. The alliance between the …
Electron-Ion Collider: The next QCD frontier: Understanding the glue that binds us all
A Accardi, JL Albacete, M Anselmino… - The European Physical …, 2016 - Springer
This White Paper presents the science case of an Electron-Ion Collider (EIC), focused on the
structure and interactions of gluon-dominated matter, with the intent to articulate it to the …
structure and interactions of gluon-dominated matter, with the intent to articulate it to the …