Related papers: Molecular dynamics for full QCD simulations with a…
We present results of simulations of the quenched quarkonium spectrum at two values of the lattice spacing and for quark masses around $m_c$ using the tadpole improved clover action. Attention is focussed on the lowest lying S and P states,…
We present an update on our previous determination of the Lambda parameter in QCD. The main emphasis is on results for two flavours of light dynamical quarks, where we can now almost double the amount of data used, including values at…
This lecture provides an introduction to quantum chromodynamics (QCD) on the lattice. The continuum limit and Monte Carlo simulations are briefly discussed. Different facets of QCD are nicely exhibited by the potential of a static quark and…
We simulate lattice QCD at finite quark-number chemical potential to study nuclear matter, using the complex Langevin equation (CLE). The CLE is used because the fermion determinant is complex so that standard methods relying on importance…
Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…
We apply a recent proposal to speed up the Hybrid-Monte-Carlo simulation of systems with dynamical fermions to two flavor QCD with clover-improvement. For our smallest quark masses we see a speed-up of more than a factor of two compared…
Numerical simulations of quantum chromodynamics at nonzero temperature provide information from first principles about the physical properties of the quark gluon plasma. Because the lattice approximation can be refined indefinitely, results…
There has been major progress in recent years in the development of improved discretizations of the QCD action, current operators, etc for use in numerical simulations that employ very coarse lattices. These lectures review the field…
Despite the modern level of development of computational chemistry methods and techno-logical progress, fast and accurate determination of solvation free energy remains a huge problem for physical chemists. In this paper, we describe two…
We argue that lattice simulations of full QCD with varying quark mass are best conducted at fixed lattice spacing rather than at fixed $\beta$. We present techniques which enable this to be carried out effectively, namely the tuning in bare…
We discuss the design of state-of-the-art numerical methods for molecular dynamics, focusing on the demands of soft matter simulation, where the purposes include sampling and dynamics calculations both in and out of equilibrium. We discuss…
We present an efficient approach to simulate real-time quantum dynamics using Projected Variational Quantum Dynamics (PVQD), where the computational cost is reduced by strategically optimizing only a subset of the variational parameters at…
We introduce a lattice gas implementation that is based on coarse-graining a Molecular Dynamics (MD) simulation. Such a lattice gas is similar to standard lattice gases, but its collision operator is informed by an underlying MD simulation.…
We consider the renormalisation of lattice QCD operators with one and two covariant derivatives related to the first and second moments of generalised parton distributions and meson distribution amplitudes. Employing the clover fermion…
We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example, in molecular dynamics simulations within the…
We give details of our precise determination of the light quark masses m_{ud}=(m_u+m_d)/2 and m_s in 2+1 flavor QCD, with simulated pion masses down to 120 MeV, at five lattice spacings, and in large volumes. The details concern the action…
We survey results in lattice quantum chromodynamics from groups in the USQCD Collaboration. The main focus is on physics, but many aspects of the discussion are aimed at an audience of computational physicists.
Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…
Recent progress in unquenched lattice QCD simulations is reviewed with emphasis on understanding of chiral behavior for light quark masses.