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We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the training distribution. We build on the observation that these…

Machine Learning · Computer Science 2026-05-26 Yanbo Xu , Yu Wu , Sungjae Park , Zhizhuo Zhou , Shubham Tulsiani

Sea ice is a key component of the Earth's climate system, making its aging process an essential focus of current research. The age of sea ice is closely linked to its thermal and mechanical properties, which govern its interactions with the…

Fluid Dynamics · Physics 2025-09-09 Yihong Du , Feng Wang , Enrico Calzavarini , Chao Sun

We perform molecular dynamics and Monte Carlo simulations of two-dimensional melting with dipole-dipole interactions. Both static and dynamic behaviors are examined. In the isotropic liquid phase, the bond orientational correlation length 6…

Soft Condensed Matter · Physics 2008-06-24 Shizeng Lin , Bo Zheng , Steffen Trimper

We have developed a novel Monte Carlo method for simulating the dynamical evolution of stellar systems in arbitrary geometry. The orbits of stars are followed in a smooth potential represented by a basis-set expansion and perturbed after…

Astrophysics of Galaxies · Physics 2014-12-04 Eugene Vasiliev

The nature of freezing and melting transitions for a system of hard disks in a spatially periodic external potential is studied using extensive Monte Carlo simulations. Detailed finite size scaling analysis of various thermodynamic…

Statistical Mechanics · Physics 2009-10-31 W. Strepp , S. Sengupta , P. Nielaba

We use the grand canonical Monte Carlo method to study the nature of wetting transitions on a variety of heterogeneous surfaces. The model system we explore, Ne adsorption on Mg, is one for which a prewetting transition has been found in…

Statistical Mechanics · Physics 2009-10-31 S. Curtarolo , M. W. Cole , M. J. Bojan , W. A. Steele

A new scenario of thermalization process of the adsorbate attached at solid surfaces is proposed. The scenario is based on existence of electric dipole layer in which the electron wavefunctions extend over the positive ions. Thus the strong…

Chemical Physics · Physics 2017-04-26 Paweł Strak , Konrad Sakowski , Stanisław Krukowski

We present a generic reweighting method for nonequilibrium Markov processes. With nonequilibrium Monte Carlo simulations at a single temperature, one calculates the time evolution of physical quantities at different temperatures, which…

Statistical Mechanics · Physics 2009-11-10 Hwee Kuan Lee , Yutaka Okabe

We propose an efficient Monte Carlo algorithm for simulating a ``hardly-relaxing" system, in which many replicas with different temperatures are simultaneously simulated and a virtual process exchanging configurations of these replica is…

Condensed Matter · Physics 2009-10-28 Koji Hukushima , Koji Nemoto

We present a study on the melting dynamics of neighbouring ice bodies by means of idealised simulations, focusing on collective effects, with the goal of obtaining fundamental insight into how collective interactions influence the melting…

Fluid Dynamics · Physics 2026-01-14 Sofía Angriman , Detlef Lohse , Roberto Verzicco , Sander G. Huisman

Melting in two spatial dimensions, as realized in thin films or at interfaces, represents one of the most fascinating phase transitions in nature, but it remains poorly understood. Even for the fundamental hard-disk model, the melting…

Soft Condensed Matter · Physics 2015-03-13 Etienne P. Bernard , Werner Krauth

The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing…

Materials Science · Physics 2018-01-29 Amirreza Keyhani

The aim of this paper is to improve our understanding of the heating mechanisms of the solar chromosphere via realistic three-dimensional (3D) modeling of solar magneto-convection, considering the fact that solar plasma contains a…

Solar and Stellar Astrophysics · Physics 2025-05-07 E. Khomenko , N. Vitas , M. Collados , M. Modestov

I examine the molecular dynamics of ice growth from water vapor, focusing on how the attachment kinetics can be augmented by edge-dependent surface diffusion. Although there are significant uncertainties in developing an accurate physical…

Materials Science · Physics 2020-12-25 Kenneth G. Libbrecht

Monte Carlo simulations are performed to study the in-plane transport of spin-polarized electrons in III-V semiconductor quantum wells. The density matrix description of the spin polarization is incorporated in the simulation algorithm. The…

Mesoscale and Nanoscale Physics · Physics 2010-09-22 Min Shen , Semion Saikin , Ming-C. Cheng , Vladimir Privman

In recent years the Swap Monte Carlo algorithm has led to remarkable progress in equilibrating supercooled model liquids at low temperatures. Applications have so far been limited to systems composed of spherical particles, however, whereas…

Soft Condensed Matter · Physics 2025-09-05 Till Böhmer , Jeppe C. Dyre , Lorenzo Costigliola

We investigate freely cooling systems of rough spheres in two and three dimensions. Simulations using an event driven algorithm are compared with results of an approximate kinetic theory, based on the assumption of a generalized homogeneous…

Statistical Mechanics · Physics 2009-10-31 S. Luding , M. Huthmann , S. McNamara , A. Zippelius

We develop a comprehensive approach to simulate the deformation of mirrors and lenses due to thermal and mechanical stresses that couples efficiently to photon-based optics simulations. This expands upon previous work where we demonstrated…

Instrumentation and Methods for Astrophysics · Physics 2019-03-20 J. R. Peterson , E. Peng , C. J. Burke , G. Sembroski , J. Cheng

Reaction-diffusion systems with reversible reactions generically display power-law relaxation towards chemical equilibrium. In this work we investigate through numerical simulations aging processes that characterize the non-equilibrium…

Statistical Mechanics · Physics 2011-06-10 Nasrin Afzal , Justin Waugh , Michel Pleimling

Diffusion of atoms and molecules is a key process for the chemical evolution in the star forming regions of the interstellar medium. Accurate data on the mobility of many important interstellar species is however often not available and…

Astrophysics of Galaxies · Physics 2014-10-01 L. J. Karssemeijer , H. M. Cuppen