Related papers: Shifted forces in molecular dynamics
A potential between mesons is extracted from 4-point functions within lattice gauge theory taking 2+1 dimensional QED as an example. This theory possesses confinement and dynamical fermions. The resulting meson-meson potential has a…
We present a first numerical study of lattice QCD with O(a) improved Wilson quarks and a chirally twisted mass term. Renormalized correlation functions are derived from the Schroedinger functional and evaluated in an intermediate space-time…
A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at…
The use of machine learning to estimate the energy of a group of atoms, and the forces that drive them to more stable configurations, has revolutionized the fields of computational chemistry and materials discovery. In this domain, rigorous…
Recently developed chiral nucleon-nucleon (NN) forces at next-to-leading order (NLO) that describe NN phase shifts up to about 100 MeV fairly well have been applied to 3N and 4N systems. Faddeev-Yakubovsky equations have been solved…
Designing an effective move-generation function for Simulated Annealing (SA) in complex models remains a significant challenge. In this work, we present a combination of theoretical analysis and numerical experiments to examine the impact…
We address the question whether the cut-off dependence, which has to be introduced in order to properly define the Lippmann-Schwinger equation for the one pion exchange potential plus local (delta-function) potentials, can be removed (up to…
In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of…
The curved uncut chip thickness model is presented to predict the cutting forces for general uncut chip geometries. The cutting force is assumed to be distributed along a curved path on the rake face of the cutting tool, which makes the…
Modified Newtonian dynamics proposed that gravitational field needs modifications when the field strength $g$ is weaker than a critical value $g_0$. This has been shown to be a good candidate as an alternative to cosmic dark matter. There…
Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability…
The force distribution of a tagged atom in a Lennard-Jones fluid in the canonical ensemble is studied with a focus on its dependence on inherent physical parameters: number density ($n$) and temperature ($T$). Utilising structural…
We simulate a theory with two dynamical O($a$) improved Wilson quarks whose mass $M$ ranges from a factor eight up to a factor two below the charm quark mass and at three values of the lattice spacing ranging from 0.066 to 0.034 fm. This…
Nogga, Timmermans and van Kolck recently argued that Weinberg's power counting in the few-nucleon sector is inconsistent and requires modifications. Their argument is based on the observed cutoff dependence of the nucleon-nucleon scattering…
A modification of the Gay-Berne potential is proposed which is about 10% to 20% more speed efficient (that is, the original potential runs 15% to 25% slower, depending on architecture) and statistically more accurate in reproducing the…
We study an effective field theory of interacting nucleons at distances much greater than the pion's Compton wavelength. In this regime the NN potential is conjectured to be the sum of a delta function and its derivatives. The question we…
Recently, a simple heuristic modification of the Newton potential with a non-zero delay-time $\tau_G$ has been proposed. Our modification is largely suppressed for purely gravitational interactions, it becomes relevant under…
A rigid-flexible manipulator may be assigned tasks in a moving environment where the winds or vibrations affect the position and/or orientation of surface of operation. Consequently, losses of the contact and perhaps degradation of the…
Several recent theories suggest that light moduli or particles in "large" extra dimensions could mediate macroscopic forces exceeding gravitational strength at length scales below a millimeter. Such new forces can be parameterized as a…
As a feasibility study for a scaling test we investigate the behavior of algorithms for dynamical fermions in the N_f=2 Schroedinger functional at an intermediate volume of 1 fm^4. Simulations were performed using HMC with two…