相关论文: Temperature effects in first-principles solid stat…
By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are…
The effect of temperature on the operation of the elementary quantum-dot spin gates for single-electron computing is studied theoretically within the framework of the Hubbard model by the example of the NOT-AND gate. The calculated values…
We consider generalized quantum Ising models, including those which could describe disordered materials or quantum annealers, and we prove that for all temperatures above a system-size independent threshold the path integral Monte Carlo…
In this paper, we study the effect of both an external and crystal magnetic fields for a superlattice with mixed spins (1/2, 1), using Monte Carlo simulations. The ground state phase diagrams, in the external magnetic field, coupling…
We present a Quantum Monte Carlo study of the temperature dependent dynamics of the two-dimensional Kondo insulator. Working at the so-called symmetrical point allows to perform minus-sign free QMC simulations. Study of the temperature…
We have simulated the classical Heisenberg antiferromagnet on a triangular lattice using a local Monte Carlo algorithm. The behavior of the correlation length $\xi$, the susceptibility at the ordering wavevector $\chi(\bf Q)$, and the spin…
We compare the predictions of the effective string description of confinement in finite temperature gauge theories to high precision Monte Carlo data for the three-dimensional Z_2 gauge theory. First we review the predictions of the free…
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying…
A Monte-Carlo approach to proton stopping in warm dense matter is implemented into an existing particle-in-cell code. The model is based on multiple binary-collisions among electron-electron, electron-ion and ion-ion, taking into account…
We apply the pseudopotential density functional perturbation theory approach along with the quasiharmonic approximation to calculate the thermal expansion of tungsten and two important metallic alloys, NiAl and PdTi. We derive the theory…
A new approach to simulating rotational cooling using a direct simulation Monte Carlo (DSMC) method is described and applied to the rotational cooling of ammonia seeded into a helium supersonic jet. The method makes use of ab initio…
An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo…
We present results of Monte Carlo simulations, using parallel tempering, on the three- and four-dimensional Edwards-Anderson Ising spin glass with Gaussian couplings at low temperatures with free boundary conditions. Our results suggest…
The vibration of the dimer excited by STM current on Si(001) surface is investigated. We describe this system by the Hamiltonian which has the electron-vibration coupling term as the key ingredient. In order to characterize the transition…
We calculate the equation of state of nuclear matter for arbitrary isospin-asymmetry up to three loop order in the free energy density in the framework of in-medium chiral perturbation theory. In our approach 1\pi- and 2\pi-exchange…
We address the calculation of dynamical correlation functions for many fermion systems at zero temperature, using the auxiliary-field quantum Monte Carlo method. The two-dimensional Hubbard hamiltonian is used as a model system. Although…
Quantum Monte Carlo methods find fruitful application in large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in a fluctuating one-body field;…
In this article we extend the results presented in Ref. [Phys. Rev. A 76, 032101 (2007)] to treat quantitatively the effects of reservoirs at finite temperature in a bosonic dissipative network: a chain of coupled harmonic oscillators…
Rapid compression machines (RCMs) have been widely used in the combustion literature to study the low-to-intermediate temperature ignition of many fuels. In a typical RCM, the pressure during and after the compression stroke is measured.…
A typical problem with Monte Carlo simulations in statistical physics is that they do not allow for a direct calculation of the free energy. For systems at criticality, this means that one cannot calculate the central charge in a Monte…