相关论文: Dimer Metadynamics
We proposed a novel approach to coherent imaging of dynamic samples. The inter-frame similarity of the sample's local structures is found to be a powerful constraint in phasing a sequence of diffraction patterns. We devised a new image…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
A multi-high-frequency electron paramagnetic resonance method is used to probe the magnetic excitations of a dimer of single-molecule magnets. The measured spectra display well resolved quantum transitions involving coherent superposition…
From general arguments, that are valid for spin models with sufficiently short-range interactions, we derive strong constraints on the excitation spectrum across a continuous phase transition at zero temperature between a magnetic and a…
Sampling from discrete distributions with multiple modes and energy barriers is fundamental to machine learning and computational physics. Recent discrete neural samplers like MDNS suffer from mode collapse and fail to sample high-energy…
The dynamics of interacting particles in orbital magnetic fields are notoriously difficult to study, as this physics is inherently connected to electronic correlations in two-dimensional systems, for which no straightforward theoretical…
Combinatorial optimization problems play crucial roles in real-world applications, and many studies from a physics perspective have contributed to specialized hardware for high-speed computation. However, some combinatorial optimization…
Fermionic atoms trapped in a double well potential are an ideal setting to study fundamental exchange mechanisms. We use exact diagonalization and complementary analytic calculations to demonstrate that two trapped fermions deliver a…
Sampling equilibrium distributions is fundamental to statistical mechanics. While flow matching has emerged as scalable state-of-the-art paradigm for generative modeling, its potential for equilibrium sampling in condensed-phase systems…
The population transfer dynamics of model donor-bridge-acceptor systems is studied by comparing a recently developed polaron-transformed quantum master equation (PQME) with the well-known Redfield and Forster theories of quantum transport.…
Transition interface sampling (TIS) and replica exchange TIS (RETIS) are powerful methods for computing rates of rare events inaccessible to straightforward molecular dynamics (MD) simulations. Path reweighting extends their output,…
Metadynamics is a commonly used and successful enhanced sampling method. By the introduction of a history dependent bias which depends on a restricted number of collective variables(CVs) it can explore complex free energy surfaces…
We introduce a direct Boltzmann inversion method to infer the interaction potential in particle systems using as input particle configurations generated at an arbitrary state point of the system. Unlike iterative Boltzmann inversion, the…
In systems with detailed balance, the stationary distribution and the equilibrium distribution are identical, creating a clear connection between energetic and entropic quantities. Many driven systems violate detailed balance and still pose…
We present a novel Exchange Monte Carlo (EMC) method designed for application in continuous-space Path Integral Monte Carlo (PIMC) simulations at finite temperature. Traditional PIMC methods for bosonic systems suffer from long…
This paper enhances the Diffuse Interface Method (DIM) for simulating compressible multiphase flows across all Mach numbers by addressing the accuracy challenges posed at low Mach regimes. A correction to the Riemann solver is introduced,…
This letter highlights the entropy exchange phenomenon in a coupled binary inter-correlating system following Haldane's non-linear statistical correlation. A unique coupling between a classical and a quantum-like system at the marginal…
We propose an experimental protocol for using cold atoms to create and probe quantum dimer models, thereby exploring the Pauling-Anderson vision of a macroscopic collection of resonating bonds. This process can allow the study of exotic…
We introduce an energy-resolved variant of quantum thermodynamics for open systems strongly coupled to their baths. The approach generalizes the Landauer-Buttiker inside-outside duality method [Phys. Rev. Lett. 120, 107701 (2018)] to…
In this paper, the effect of weak nonlinearities in 1D locally resonant metamaterials is investigated via the method of multiple scales. Commonly employed to the investigate the effect of weakly nonlinear interactions on the free wave…