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Evaluating accessible conformational space is computationally expensive and thermal motions are partly neglected in computer models of molecular interactions. This produces error into the estimates of binding strength. We introduce a method…

Quantitative Methods · Quantitative Biology 2016-12-13 Riku Hakulinen , Santeri Puranen

A simple one-dimensional gas-piston kinetic model gives the interaction potential between two colliding heavy ions. In the frame of the classical, thermodynamical approach, the colliding heavy ions are not submitted to friction, but…

Nuclear Theory · Physics 2019-05-10 Mario J. Pinheiro

Hot dense helium is studied with first-principles computer simulations. By combining path integral Monte Carlo and density functional molecular dynamics, a large temperature and density interval ranging from 1000 to 1000000 K and 0.4 to 5.4…

Materials Science · Physics 2015-05-13 Burkhard Militzer

A Lorentz gas may be defined as a system of fixed dispersing scatterers, with a single light particle moving among these and making specular collisions on encounters with the scatterers. For a dilute Lorentz gas with open boundaries in $d$…

Chaotic Dynamics · Physics 2009-11-10 Henk van Beijeren , Oliver Muelken

Strongly correlated states in many-body systems are traditionally created using elastic interparticle interactions. Here we show that inelastic interactions between particles can also drive a system into the strongly correlated regime. This…

Other Condensed Matter · Physics 2017-08-23 S. Dürr , N. Syassen , D. M. Bauer , M. Lettner , T. Volz , D. Dietze , J. J. Garcia-Ripoll , J. I. Cirac , G. Rempe

We propose a simple analytic representation of the correlation energy for the two-dimensional electron gas, as a function of the density and the spin polarization. This new parametrization includes most of the known high- and low- density…

Strongly Correlated Electrons · Physics 2007-05-23 Paola Gori-Giorgi , Claudio Attaccalite , Saverio Moroni , Giovanni B. Bachelet

We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…

Soft Condensed Matter · Physics 2015-03-11 Marco Aurélio A. Barbosa , Fernando Vito Barbosa , Fernando Albuquerque de Oliveira

We investigate the gap formation probability of the effective one dimensional gas model proposed the energy level statistics for disordered solids.

Condensed Matter · Physics 2009-10-28 Y Chen , S M Manning

While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte…

Statistical Mechanics · Physics 2009-10-31 Parthapratim Biswas , G. T. Barkema , Normand Mousseau , W. F. van der Weg

We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…

Materials Science · Physics 2009-10-31 Maziar Nekovee , W. M. C. Foulkes , R. J. Needs

Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density and pressure equations of state for an…

Quantum Gases · Physics 2016-02-12 K. Fenech , P. Dyke , T. Peppler , M. G. Lingham , S. Hoinka , H. Hu , C. J. Vale

The energy and structure of dilute gases of hard spheres in three dimensions is discussed, together with some aspects of the corresponding 2D systems. A variational approach in the framework of the Hypernetted Chain Equations (HNC) is used…

Statistical Mechanics · Physics 2009-11-10 F. Mazzanti , A. Polls , A. Fabrocini

We construct a three-component system of PDEs describing dynamics of van der Walls gas in one-dimensional nozzle. The group of conservation laws for this system is described. We also ompute the Lie algebras of point symmetries and present…

Exactly Solvable and Integrable Systems · Physics 2020-04-09 I. S. Krasil'shchik , V. V. Lychagin

We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are…

Soft Condensed Matter · Physics 2015-05-14 Achille Giacometti , Fred Lado , Julio Largo , Giorgio Pastore , Francesco Sciortino

The unitary Fermi gas provides a unique window into both cold atom experiments and neutron star properties. There are major challenges in determining the physical properties within a neutron star, both experimentally and theoretically.…

Nuclear Theory · Physics 2023-11-21 Max Weiner

We review experimental and theoretical work on cold, trapped metastable noble gases. We em- phasize the aspects which distinguish work with these atoms from the large body of work on cold, trapped atoms in general. These aspects include…

We study the thermodynamical properties of a one-dimensional gas with one-dimensional gravitational interactions, and placed in a uniform mass background. Periodic boundary conditions are implemented as a modification of the potential…

Statistical Mechanics · Physics 2017-02-22 Pankaj Kumar , Bruce N. Miller , Dan Pirjol

Experimental studies of the optical properties of compressible, viscous and rapidly-rotating gas flows (vortices) are presented. Gas vortices can function as optical elements such as lenses or waveguides. The optical properties are…

Optics · Physics 2020-07-15 D. Kaganovich , B. Hafizi , L. A. Johnson , D. F. Gordon

Ferrogels consist of magnetic colloidal particles embedded in an elastic polymer matrix. As a consequence, their structural and rheological properties are governed by a competition between magnetic particle-particle interactions and…

Soft Condensed Matter · Physics 2017-06-27 P. Cremer , M. Heinen , A. M. Menzel , H. Löwen

We generalize the rejection-free event-chain Monte Carlo algorithm from many particle systems with pairwise interactions to systems with arbitrary three- or many-particle interactions. We introduce generalized lifting probabilities between…

Statistical Mechanics · Physics 2017-05-01 Julian Harland , Manon Michel , Tobias A. Kampmann , Jan Kierfeld
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