Related papers: Accelerated dynamics with the dynamical activation…
We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…
Equilibrating proteins and other biomacromolecules is cardinal for molecular dynamics simulation of such biological systems in which they perform free dynamics without any externally-applied mechanical constraint, until thermodynamic…
To advance the paradigm of autonomous operation for nuclear power plants, a data-driven machine learning approach to control is sought. Autonomous operation for next-generation reactor designs is anticipated to bolster safety and improve…
A full understanding of glasses requires an accurate atomistic picture of the complex activated processes that constitute the low-temperature dynamics of these materials. To this end, we generate over five thousand activated events in…
Time dynamics of isolated many-body quantum systems has long been an elusive subject. Very recently, however, meaningful experimental studies of the problem have finally become possible, stimulating theoretical interest as well. Progress in…
We present a novel theoretical formulation for performing quantum dynamics in terms of moments within the single-particle description. By expressing the quantum dynamics in terms of increasing orders of moments, instead of single-particle…
In quantum state tomography, one potential source of error is uncontrolled contact of the system with a heat bath whose detailed properties are not known, and whose impact on the system moreover varies between different runs of the…
A one dimensional trap model for a thermally activated classical particle is introduced to simulate driven dynamics in presence of "ageing" effects. The depth of each trap increases with the time elapsed since the particle has fallen into…
We present a quantum averaging theory (QAT) for analytically modeling unitary gate dynamics in driven quantum systems beyond the rotating-wave approximation. QAT addresses the simultaneous presence of distinct timescales by generating a…
Many engineering problems involve learning hidden dynamics from indirect observations, where the physical processes are described by systems of partial differential equations (PDE). Gradient-based optimization methods are considered…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
We describe some general results that constrain the dynamical fluctuations that can occur in non-equilibrium steady states, with a focus on molecular dynamics. That is, we consider Hamiltonian systems, coupled to external heat baths, and…
Traditional VMAT optimization often ignores dynamic machine limits, treating delivery time as an emergent property rather than a steerable parameter. This work introduces Dynamic Modulated Arc Therapy (DMAT), an intent-driven framework that…
In the past, light-assisted cold collisions between laser cooled atoms have been widely studied in magneto-optical atom traps (MOTs). We describe here theoretical studies of dynamical interactions, specifically cold collisions, between…
Background: Many biological systems are modeled qualitatively with discrete models, such as probabilistic Boolean networks, logical models, Petri nets, and agent-based models, with the goal to gain a better understanding of the system. The…
Diffusion occurs in numerous physical systems throughout nature, drawing its generality from the universality of the central limit theorem. Around a century ago it was realized that an extension to this type of dynamics can be obtained in…
Understanding and controlling physical aging, i.e. the spontaneous temporal evolution of out-of-equilibrium systems, represents one of the greatest tasks in material science. Recent studies have revealed the existence of a complex atomic…
Intelligent robots provide a new insight into efficiency improvement in industrial and service scenarios to replace human labor. However, these scenarios include dense and dynamic obstacles that make motion planning of robots challenging.…
The effect of the absorption of hard X-ray photons on the solid-state dynamics, at energies below the defect creation threshold, is considered. First, it is shown that due to the sensitivity to parameter choices, the present state of the…
Recently, we have experimentally demonstrated a continuous loading mechanism for an optical dipole trap from a guided atomic beam [1]. The observed evolution of the number of atoms and temperature in the trap are consequences of the unusual…