Related papers: Fermionic Molecular Dynamics for nuclear dynamics …
Electromagnetic multipole responses are key inputs to model the structure, decay and reaction of atomic nuclei. With the introduction of the finite amplitude method (FAM), large-scale calculations of the nuclear linear response in heavy…
First-principles molecular dynamics (FPMD) simulations were applied for the paraelectric-ferroelectric phase transition in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature…
This presentation starts with a brief review of our current picture of QCD phases, derived from lattice QCD thermodynamics and from models based on the symmetries and symmetry breaking patterns of QCD. Typical approaches widely used in this…
The nucleus-nucleus potential is calculated in the frame work of the double folding model (DFM) to obtain the Coulomb barrier parameters (barrier position and height), starting from M3Y-Reid nucleon-nucleon interaction and realistic nuclear…
Within the nuclear Fermi-liquid drop model, quantum and thermal fluctuations are considered by use of the Landau-Vlasov-Langevin equation. The spectral correlation function of the nuclear surface fluctuations is evaluated in a simple model…
We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the…
Employing a thermodynamic interpretation of gravity based on the holographic principle and assuming underlying particle statistics, fermionic or bosonic, for the excitations of the holographic screen leads to Modified Newtonian Dynamics…
We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a…
This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive Bio-NanoRobotic prototyping. Using simulated Bio-Nano environments in VR, the operator can…
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal footing. We here show that it also has an excellent…
A Skyrme-like effective interaction is built up from the equation of state of nuclear matter. The latter is calculated in the framework of the Brueckner-Hartree-Fock approximation with two and three body forces. A complete Skyrme…
Analyses of multifragmentation in terms of the Fisher droplet model (FDM) and the associated construction of a nuclear phase diagram bring forth the problem of the actual existence of the nuclear vapor phase and the meaning of its…
Molecular dynamics (MD) simulation has long been the principal computational tool for exploring protein conformational landscapes and dynamics, but its application is limited by high computational cost. We present ProTDyn, a foundation…
Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF) theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also…
We present a general formalism for deriving the thermodynamics of ferromagnets consisting of "atoms" carrying an arbitrary irreducible representation of $SU(N)$ and coupled through long-range two-body quadratic interactions. Using this…
Molecular Dynamics - Green's Functions Reaction Dynamics (MD-GFRD) is a multiscale simulation method for particle dynamics or particle-based reaction-diffusion dynamics that is suited for systems involving low particle densities. Particles…
The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations…
Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from…
The recent advancement of quantum computer hardware offers the potential to simulate quantum many-body systems beyond the capability of its classical counterparts. However, most current works focus on simulating the ground-state properties…
The behaviour of a di-nuclear system in the regime of strong pairing correlations is studied with the methods of statistical mechanics. It is shown that the thermal averaging is strong enough to assure the application of thermodynamical…