相关论文: A Correlation Method for Deriving UA Intra-Molecul…
The application of molecular dynamics (MD) simulations to quasistatic loading is severely limited by the large separation between atomic vibration timescales and experimentally relevant deformation rates. In this work we employ the…
Mechanical unfolding and refolding of ubiquitin are studied by Monte Carlo simulations of a Go model with binary variables. The exponential dependence of the time constants on the force is verified, and folding and unfolding lengths are…
A system of ${N_{osc}}$ charged oscillators interacting with the electromagnetic field, spatially confined in a 3D lattice of sub-wavelength dimension, can condense into a superradiant coherent state if appropriate density and frequency…
In this article we discuss and compare different ways to engineer an interface between ultracold atoms and micro- and nanomechanical oscillators. We start by analyzing a direct mechanical coupling of a single atom or ion to a mechanical…
The two-particle momentum correlation between the Omega-baryon ($\Omega$) and the $^{4}He (\alpha) $ in high-energy heavy ion collisions is explored. Such correlations as an alternative source of information can help us further understand…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
We use frequency-dependent capacitance-voltage spectroscopy to measure the tunneling probability into self-assembled InAs quantum dots. Using an in-plane magnetic field of variable strength and orientation, we are able to obtain information…
Lattice gauge theories are fundamental to our understanding of high-energy physics. Nevertheless, the search for suitable platforms for their quantum simulation has proven difficult. We show that the Abelian Higgs model in 1+1 dimensions is…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
Molecular dynamics simulations, with full Coulomb interaction and self-consistent field emission, are used to examine mutual space-charge interactions between beams originating from several emitter areas, in a planar infinite diode. The…
Performing full-resolution atomistic simulations of nucleic acid folding has remained a challenge for biomolecular modeling. Understanding how nucleic acids fold and how they transition between different folded structures as they unfold and…
In the last years, chiral effective field theory has been successfully developed for and applied to systems with few nucleons. Here, I present a new approach for ab initio calculations of nuclei that combines these precise and systematic…
Path integral Monte Carlo approach is used to study the coupled quantum dynamics of the electron and nuclei in hydrogen molecule ion. The coupling effects are demonstrated by comparing differences in adiabatic Born--Oppenheimer and…
We develop a method to calculate generic time-dependent correlation functions for inhomogeneous quantum quenches in (1+1)-dimensional conformal field theory (CFT) induced by sudden Hamiltonian deformations that modulate the energy density…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…
The dynamics of entanglement and uncertainty relation is explored by solving the time-dependent Schr\"{o}dinger equation for coupled harmonic oscillator system analytically when the angular frequencies and coupling constant are arbitrarily…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
The Coulomb-gauge vector potential of a uniformly moving point charge is obtained by calculating the gauge function for the transformation between the Lorenz and Coulomb gauges. The expression obtained for the difference between the vector…
The correlation functions related to topological phase transitions in inversion-symmetric lattice models described by $2\times 2$ Dirac Hamiltonians are discussed. In one dimension, the correlation function measures the charge-polarization…
We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the…