Related papers: Molecular dynamics for full QCD simulations with a…
We discuss recent progress in the study of in-medium heavy quarkonium using first-principles lattice QCD calculations and effective field theory. In particular our focus lies on real-time information carried by QCD spectral functions and we…
We construct an improved version of nonrelativistic QCD for use in lattice simulations of heavy quark physics, with the goal of reducing systematic errors from all sources to below 10\%. We develop power counting rules to assess the…
A numerical simulation algorithm for lattice QCD is described, in which the short- and long-distance effects of the sea quarks are treated separately. The algorithm can be regarded, to some extent, as an implementation at the quantum level…
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…
The lattice technique of studying the strong interaction of matter is used to obtain predictions of the hadronic spectrum. These simulations were performed by the UKQCD collaboration using full (unquenched) QCD. Details of the results, a…
We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid…
Techniques for simulating molecules whose conformations satisfy constraints are presented. A method for selecting appropriate moves in Monte Carlo simulations is given. The resulting moves not only obey the constraints but also maintain…
We propose a novel quasiparticle interpretation of the equation of state of deconfined QCD at finite temperature. Using appropriate thermal masses, we introduce a phenomenological parametrization of the onset of confinement in the vicinity…
We review studies of QCD thermodynamics by lattice QCD simulations with dynamical Wilson quarks. After explaining the basic properties of QCD with Wilson quarks at finite temperature including the phase structure and the scaling properties…
This review provides a comprehensive summary of results on the physics of strongly interacting matter in the presence of background electromagnetic fields, obtained via numerical lattice simulations of the underlying theory, Quantum…
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…
This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…
This chapter, to appear in the section on QCD under extreme conditions within the Encyclopedia of Nuclear Physics, aims to provide a pedagogical introduction to the physics of quarks and gluons in the presence of high temperature, nonzero…
Quantum dynamics compilation is an important task for improving quantum simulation efficiency: It aims to synthesize multi-qubit target dynamics into a circuit consisting of as few elementary gates as possible. Compared to deterministic…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
Molecular dynamics (MD) is a widely-used tool for simulating the molecular and materials properties. It is a common wisdom that molecular dynamics simulations should obey physical laws and, hence, lots of effort is put into ensuring that…
Despite the rapid and significant advancements in deep learning for Quantitative Structure-Activity Relationship (QSAR) models, the challenge of learning robust molecular representations that effectively generalize in real-world scenarios…
While lattice QCD allows for reliable results at small momentum transfers (large quark separations), perturbative QCD is restricted to large momentum transfers (small quark separations). The latter is determined up to a reference momentum…
The simulation of QCD on dynamical (Nf=2) anisotropic lattices is described. A method for nonperturbative renormalisation of the parameters in the anisotropic gauge and quark actions is presented. The precision with which this tuning can be…
Quantum field theories underlie all of our understanding of the fundamental forces of nature. The are relatively few first principles approaches to the study of quantum field theories [such as quantum chromodynamics (QCD) relevant to the…