Related papers: Design of Force Fields from Data at Finite Tempera…
The temperature dependent effective potential (TDEP) method is generalized beyond pair interactions. The second and third order force constants are determined consistently from ab initio molecular dynamics simulations at finite temperature.…
We introduce and explore an approach for constructing force fields for small molecules, which combines intuitive low body order empirical force field terms with the concepts of data driven statistical fits of recent machine learned…
Temperature of a finite-sized system fluctuates due to the thermal fluctuations. However, a systematic mathematical framework for measuring or estimating the temperature is still underdeveloped. Here, we incorporate the estimation theory in…
We derive finite temperature expansions for relativistic fermion systems in the presence of background magnetic fields, and with nonzero chemical potential. We use the imaginary-time formalism for the finite temperature effects, the…
QCD at finite temperature and density is becoming increasingly important for various experimental programmes, ranging from heavy ion physics to astro-particle physics. The non-perturbative nature of non-abelian quantum field theories at…
We develop an effective low-frequency theory of the electromagnetic field in equilibrium with thermal objects. The aim is to compute thermal magnetic noise spectra close to metallic microstructures. We focus on the limit where the material…
In this paper, the finite temperature Casimir force acting on a two-dimensional Casimir piston due to electromagnetic field is computed. It was found that if mixed boundary conditions are assumed on the piston and its opposite wall, then…
This work presents a formalism to derive field quantities and conservation laws from the atomistic using the theory of distributions as the mathematical tool. By defining temperature as a derived quantity as that in molecular kinetic theory…
Ferrofluid heating by an external alternating field is studied based on the rigid dipole model, where the magnetization of each particle in a fluid is supposed to be firmly fixed in the crystal lattice. Equations of motion, employing the…
The potential energy problem in an electrostatically bound two-body system is studied in the framework of a recently proposed impact model of the electrostatic force and in analogy to the potential energy in a gravitationally bound system.…
This work addresses the question of whether it is possible to define simple pair-wise interaction terms to approximate free energies of proteins or polymers. Rather than ask how reliable a potential of mean force is, one can ask how…
We show that the maximum work that can be obtained from the thermal radiation emitted between two planar sources in the near-field regime is much larger than that corresponding to the blackbody limit. This quantity as well as an upper bound…
We show how to localize and quantify the functional evolutionary constraints on natural proteins. The method compares the perturbations caused by local sequence variants to the energetics of the protein folding process and to the…
This Chapter introduces QCD at finite temperature and density. We first present the formulation of the thermal theory in the Euclidean path integral formalism. We then describe how the strong dynamics at high temperature can be inspected…
We present a new method to detect Fermi surface instabilities for interacting systems at finite temperature. We first apply it to a list of cases studied previously, recovering already known results in a very economic way, and obtaining…
We propose a novel method for the determination of the effective interaction potential between the amino acids of a protein. The strategy is based on the combination of a new optimization procedure and a geometrical argument, which also…
We review different aspects of field theory at zero and finite temperature, related to the theory of phase transitions. We discuss different renormalization conditions for the effective potential at zero temperature, emphasizing in…
A 3D finite-element numerical simulation was developed to investigate Casimir forces in arbitrary geometries. The code was verified comparing it with results obtained from analytical equations. Appling the simulation to previously not…
We show how to compute Casimir forces at nonzero temperatures with time-domain electromagnetic simulations, for example using a finite-difference time-domain (FDTD) method. Compared to our previous zero-temperature time-domain method, only…
We study the phase diagram at finite temperature of a system of Fermi particles on the sites of the Bethe lattice with coordination number z and interacting through onsite U and nearest-neighbor V interactions. This is a physical…