相关论文: Shifted forces in molecular dynamics
The interaction of condensed phase systems with external electric fields is crucial in myriad processes in nature and technology ranging from the field-directed motion of cells (galvanotaxis), to energy storage and conversion systems…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
We introduce Flexible Cutoff Learning (FCL), a method for training machine learning interatomic potentials (MLIPs) whose cutoff radii can be adjusted after training. Unlike conventional MLIPs that fix the cutoff radius during training, FCL…
In models with large additional dimensions, the GUT scale can be lowered to values accessible by future colliders. Due to modification of the loop corrections from particles propagating into the extra dimensions, the logarithmic running of…
The nuclear binding energies for 28 nuclei including several isotopic chains with masses ranging from A=64 to A=226 were evaluated using the Skyrme effective nucleon-nucleon interaction and the Extended Thomas-Fermi approximation. The…
The gravitational radiation-reaction force acting on perfect fluids at 3.5 post-Newtonian order is cast into a form which is directly applicable to numerical simulations. Extensive use is made of metric-coefficient changes induced by…
As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…
The friction force, friction coefficients and the effects on the dynamics of particles, bodies and systems, are fundamental themes in university physics of the first cycles and also in general physics courses of upper secondary education in…
Mean force kinetic theory is used to evaluate the electrical conductivity, thermal conductivity, electrothermal coefficient, thermoelectric coefficient, and shear viscosity of a two-component (ion-electron) plasma. Results are compared with…
The Casimir force is calculated in the configuration of a spherical lens and a disc of finite radius covered by $Cu$ and $Au$ thin layers which was used in a recent experiment. The correction to the Casimir force due to finiteness of the…
We show how the exact renormalization group for the effective action with a sharp momentum cutoff, may be organised by expanding one-particle irreducible parts in terms of homogeneous functions of momenta of integer degree (Taylor…
The renormalisation of NN scattering in theories with zero-range interactions is examined using a cut-off regularisation and taking the cut-off to infinity. Inclusion of contact interactions that depend on energy as well as momentum allows…
The nonperturbative nature of inter-nucleon interactions is explored by varying the momentum cutoff of a two-nucleon potential. Conventional force models, which have large cutoffs, are nonperturbative because of strong short-range…
The next generation of force fields for molecular dynamics will be developed using a wealth of data. Training systematically with experimental data remains a challenge, however, especially for machine learning potentials. Differentiable…
Given the ubiquity of depletion effects in biological and other soft matter systems, it is desirable to have coarse-grained Molecular Dynamics simulation approaches appropriate for the study of complex systems. This paper examines the use…
In view of the recent excitement about a tension between determinations of f_Ds from experiment and from simulations of lattice QCD with dynamical quarks, we try to clear up the picture of lattice determinations in the continuum limit of…
The deformed energy method has shown to be a good option for dimensional synthesis of mechanisms. In this paper the introduction of some new features to such approach is proposed. First, constraints fixing dimensions of certain links are…
We report a next-to-leading-order (NLO) chiral perturbation theory calculation of the neutron-proton scattering cross section in the ${}^1S_0$ channel using a cut-off regularization. The inclusion of two-pion exchanges in the irreducible…
The Symanzik analysis of correlators in lattice QCD with maximally twisted Wilson fermions reveals that there exist cutoff artifacts which tend to become large as the quark mass gets small. We show that these effects can be reduced to a…
This paper studies the properties of a new lower bound for the natural pseudo-distance. The natural pseudo-distance is a dissimilarity measure between shapes, where a shape is viewed as a topological space endowed with a real-valued…