Related papers: Adaptive Equilibration of Molecular Dynamics Simul…
We investigate the lattice spacing dependence of the equilibration time for a recently proposed multiscale thermalization algorithm for Markov chain Monte Carlo simulations. The algorithm uses a renormalization-group matched coarse lattice…
Rapid robot motion generation is critical in Human-Robot Collaboration (HRC) systems, as robots need to respond to dynamic environments in real time by continuously observing their surroundings and replanning their motions to ensure both…
Forward flux sampling (FFS) provides a convenient and efficient way to simulate rare events in equilibrium or non-equilibrium systems. FFS ratchets the system from an initial state to a final state via a series of interfaces in phase space.…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
We study the robustness of system estimation to parametric perturbations in system dynamics and initial conditions. We define the problem of sensitivity-based parametric uncertainty quantification in dynamical system estimation. The main…
Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…
We introduce a method "DMT" for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary…
Astrophysical shocks or bursts from a photoionizing source can disturb the typical collisional plasma found in galactic interstellar media or the intergalactic medium. The spectrum emitted by this plasma contains diagnostics that have been…
In the initial stage of the bottom-up picture of thermalization in heavy ion collisions, the gluon distribution is highly anisotropic which can give rise to plasma instability. This has not been taken account in the original paper. It is…
Quantum phase estimation combined with Hamiltonian simulation is the most promising algorithmic framework to computing ground state energies on quantum computers. Its main computational overhead derives from the Hamiltonian simulation…
Understanding and accounting for uncertainty helps to ensure next-step tokamaks such as SPARC will robustly achieve their goals. While traditional Plasma OPerating CONtour (POPCON) analyses guide design, they often overlook the significant…
Designing superconducting coils for a tokamak fusion device is a highly coupled, non-linear design problem. The coils have many disparate engineering requirements from structural to power electronics, as well strict limits placed on the…
Searching for potential active compounds in large databases is a necessary step to reduce time and costs in modern drug discovery pipelines. Such virtual screening methods seek to provide predictions that allow the search space to be…
We study post-calibration uncertainty for trained ensembles of classifiers. Specifically, we consider both aleatoric (label noise) and epistemic (model) uncertainty. Among the most popular and widely used calibration methods in…
The cryopreservation of biological materials is a highly complex process, as it involves numerous factors such as the cooling and thawing procedures, the administration of cryoprotective agents (CPAs), as well as the type and composition of…
We demonstrate that the multicanonical approach is not restricted to Monte Carlo simulations, but can also be applied to simulation techniques such as molecular dynamics, Langevin, and hybrid Monte Carlo algorithms. The effectiveness of the…
A concise overview of the vibrational model of heat transfer in simple fluids with soft pairwise interactions is presented. The model is applied to evaluate the thermal conductivity coefficient of the strongly coupled Yukawa fluid, which…
Stochastic resetting, the procedure of stopping and re-initializing random processes, has recently emerged as a powerful tool for accelerating processes ranging from queuing systems to molecular simulations. However, its usefulness is…
In this paper, the theoretical model of weak decaying collective excitations characteristic of many-particle systems with long-range interaction potentials is developed using the example of one-component strongly coupled Yukawa plasmas. The…
High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…