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Quantum Molecular Dynamics (QMD) calculations of central collisions between heavy nuclei are used to study fragment production and the creation of collective flow. It is shown that the final phase space distributions are compatible with the…

Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…

Computational Physics · Physics 2026-01-22 Bing Xiao , Nan Li , Wenqian Kong , Rui Chu , Hongyu Zhang , Guodong Meng , Kai Wu , Yonghong Cheng

Along with recent progress in structural biology and genome biology, structural dynamics of molecular systems including nucleic acids has attracted attention in the context of gene regulation. Structure-function relationship is an important…

Biomolecules · Quantitative Biology 2021-11-23 Takeru Kameda , Akinori Awazu , Yuichi Togashi

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD…

Chemical Physics · Physics 2026-01-26 Filippo Bigi , Sanggyu Chong , Agustinus Kristiadi , Michele Ceriotti

The thermal evolution of a few thermodynamic properties of the nuclear surface like its thermodynamic potential energy, entropy and the symmetry free energy are examined for both semi-infinite nuclear matter and finite nuclei. The…

Nuclear Theory · Physics 2015-06-19 B. K. Agrawal , D. Bandyopadhyay , J. N. De , S. K. Samaddar

The concept of partial symmetry is introduced for an interacting fermion system. The associated Hamiltonians are shown to be closely related to a realistic nuclear quadrupole-quadrupole interaction. An application to $^{12}$C is presented.

Nuclear Theory · Physics 2017-08-23 Jutta Escher

Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of classical MD. Inspired by foundational large language models,…

Computational Physics · Physics 2025-11-14 Denan Li , Jiyuan Yang , Xiangkai Chen , Lintao Yu , Shi Liu

Microscopic models, which embody the simplicity and significance of a dynamical symmetry approach to nuclear structure, are reviewed. They can reveal striking features of atomic nuclei when a symmetry dominates and solutions in domains that…

Nuclear Theory · Physics 2017-08-23 J. P. Draayer , K. D. Sviratcheva , T. Dytrych , C. Bahri , K. Drumev , J. P. Vary

We present the basic concepts and our recent developments in the density functional approaches with the Skyrme functionals for describing nuclear dynamics at low energy. The time-dependent density-functional theory (TDDFT) is utilized for…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

The main result of this study consists in working out a microscopic description of collective motion in hot nuclei, allowing to express the parameters of a phenomenological collective model in terms of nucleonic quantities.

Nuclear Theory · Physics 2008-11-25 V. P. Aleshin

A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…

Disordered Systems and Neural Networks · Physics 2009-11-10 Kurt Binder , Jurgen Horbach , Walter Kob , Wolfgang Paul , Fathollah Varnik

Molecular dynamics (MD) simulation based on Langevin equation has been widely used in the study of structural, thermal properties of matters in difference phases. Normally, the atomic dynamics are described by classical equations of motion…

Mesoscale and Nanoscale Physics · Physics 2018-02-06 Jing-Tao Lü , Bing-Zhong Hu , Per Hedegård , Mads Brandbyge

A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution from the thermal motion of the nuclei, and a contribution…

Computational Physics · Physics 2018-08-01 Sarah C. Burnett , Daniel G. Sheppard , Kevin G. Honnell , Travis Sjostrom

We present a novel method to study the dynamics of bulk fermion systems such as the neutron-star crust. By introducing periodic boundary conditions into Fermionic Molecular Dynamics, it becomes possible to examine the long-range many-body…

Nuclear Theory · Physics 2011-10-11 Klaas Vantournhout , Thomas Neff , Hans Feldmeier , Natalie Jachowicz , Jan Ryckebusch

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li

Classical molecular dynamics (MD) is a well established and powerful tool in various fields of science, e.g. chemistry, plasma physics, cluster physics and condensed matter physics. Objects of investigation are few-body systems and…

Strongly Correlated Electrons · Physics 2016-02-03 Vladimir Filinov , Michael Bonitz , Alexei Filinov , Volodymyr Golubnychiy

Using a density functional approach based on a Skyrme interaction, thermodynamic properties of finite nuclei are investigated at non-zero temperture. The role of a momentum dependent isovector term is now studied besides volume, symmetry,…

Nuclear Theory · Physics 2009-12-31 S. J. Lee , A. Z. Mekjian

We present a brief overview of nuclear multifragmentation reaction. Basic formalism of canonical thermodynamical model based on equilibrium statistical mechanics is described. This model is used to calculate basic observables of nuclear…

Nuclear Theory · Physics 2020-09-03 G. Chaudhuri , S. Mallik , S. Das Gupta

The low energy regime of Quantum Chromodynamics (QCD) presents enormous challenges due to its large coupling. Effective field theories, like the Skyrme model, are useful approaches to study properties of strong interaction at hadronic…

High Energy Physics - Theory · Physics 2022-10-06 L. A. Ferreira , L. R. Livramento

Recent developments in theoretical modeling and in computational power have allowed us to make significant progress on a goal not achieved yet in nuclear theory: a fully microscopic theory of nuclear fission. The complete microscopic…

Nuclear Theory · Physics 2020-03-23 Aurel Bulgac , Shi Jin , Ionel Stetcu