Related papers: Scalable Multitemperature Free Energy Sampling of …
Atomic transport underpins the performance of materials in technologies such as energy storage and electronics, yet its simulation remains computationally demanding. In particular, modeling ionic diffusion in solid-state electrolytes (SSEs)…
The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…
The n-vicinities method for approximate calculations of the partition function of a spin system was proposed previously. The equation of state was obtained in the most general form. In the present publication these results are adapted to…
We give a survey of the known results on mixing time of Glauber dynamics for the Ising model on the square lattice and present a technique that makes exact sampling of the Ising model at all temperatures possible in polynomial time. At high…
An efficient microcanonical dynamics has been recently introduced for Ising spin models embedded in a generic connected graph even in the presence of disorder i.e. with the spin couplings chosen from a random distribution. Such a dynamics…
The phase diagram and the thermodynamics of the random field Ising model (RFIM) defined on a family of diamond hierarchical lattices of arbitrary dimension and scaling factor $b=2$ is investigated. The phase diagram is studied considering…
The exact energy spectrum is developed for a two temperature kinetic Ising spin chain, and its dual reaction diffusion system with spatially alternating pair annihilation and creation rates. Symmetries of the system pseudo-Hamiltonian that…
The gain of free energy upon unmixing is determined via application of Markov state modeling (MSM), using an Ising model with a fixed number of up- and down-spins. MSM yields reasonable estimates of the free energies. However, a closer look…
We aim at an understanding of the dynamical properties of a periodically driven damped harmonic oscillator coupled to a Random Field Ising Model (RFIM) at zero temperature, which is capable to show complex hysteresis. The system is a…
Molecular dynamics is a powerful tool for studying the thermodynamics and kinetics of complex molecular events. However, these simulations can rarely sample the required time scales in practice. Transition path sampling overcomes this…
In this work, we study and evaluate the impact of a periodic spin-lattice coupling in an Ising-like system on a 2D triangular lattice. Our proposed simple Hamiltonian considers this additional interaction as an effect of preferential phonon…
A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…
The Ising model was generalized to a system of cells interacting exclusively by presence of shared spins. Within the cells there are interactions of any complexity, the simplest intracell interactions come down to the Ising model. The…
In this paper, we study the effect of dependence on detecting a class of signals in Ising models, where the signals are present in a structured way. Examples include Ising Models on lattices, and Mean-Field type Ising Models…
We show in a simple exactly-solvable toy model that a properly designed impulse perturbation can transiently cool down low-energy degrees of freedom at the expenses of high-energy ones that heat up. The model consists of two infinite-range…
An efficient Monte Carlo method is extended to evaluate directly domain-wall free-energy for randomly frustrated spin systems. Using the method, critical phenomena of spin-glass phase transition is investigated in 4d +/-J Ising model under…
The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecular dynamics to escape free energy wells…
Spontaneous symmetry breaking occurs in various equilibrium and nonequilibrium systems, where phase transitions are typically marked by a single critical point that separates ordered and disordered regimes. We reveal a novel phenomenon in…
It is a long-standing challenge to accurately and efficiently compute thermodynamic quantities of many-body systems at thermal equilibrium. The conventional methods, e.g., Markov chain Monte Carlo, require many steps to equilibrate. The…
A quasi 2-dimensional recursive lattice formed by planar elements have been designed to investigate the surface thermodynamics of Ising spin glass system with the aim to study the metastability of supercooled liquids and the ideal glass…