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We have developed a software MagGene to predict magnetic structures by using genetic algorithm. Starting from an atom structure, MagGene repeatedly generates new magnetic structures and calls first-principles calculation engine to get the…
A popular method for sampling from high-dimensional distributions is the \emph{Gibbs sampler}, which iteratively resamples sites from the conditional distribution of the desired measure given the values of the other coordinates. It is…
Partial differential equations can be solved on general polygonal and polyhedral meshes, through Polytopal Element Methods (PEMs). Unfortunately, the relation between geometry and analysis is still unknown and subject to ongoing research in…
Certain fermionic quantum field theories are equivalent to probabilistic cellular automata, with fermionic occupation numbers associated to bits. We construct an automaton that represents a discrete model of spinor gravity in four…
High-precision modeling of subatomic particle interactions is critical for many fields within the physical sciences, such as nuclear physics and high energy particle physics. Most simulation pipelines in the sciences are computationally…
We discuss nuclear spin comagnetometers based on ultra-low-field nuclear magnetic resonance in mixtures of miscible solvents, each rich in a different nuclear spin. In one version thereof, Larmor precession of protons and ${\rm ^{19}F}$…
We consider the application of approximate Bayesian Computation (ABC) in the context of medical imaging data. We consider the parameter estimation of compartmental models in PET imaging analysis, and provide a simple ABC algorithm for its…
We study pseudo-Dirac pairs of two almost mass-degenerate sterile Majorana neutrinos which generate light neutrino masses via a low-scale seesaw mechanism. These pseudo-Dirac heavy neutral leptons can oscillate between interaction…
Modern advances in particle physics depend strongly on the usage of reliable computer programs. In this context two issues become important: The usage of powerful algorithms to handle the amount of evaluated data properly, and a software…
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…
This is a collection of examples showing how the GAP system can be used to compute information about the generating graphs of finite groups. It includes all examples that were needed for the computational results in the paper "Hamiltonian…
The main purpose of this paper is to describe a symmetry in the set genuine parameters for even rank nonlinear Spin groups in type B at certain half-integral infinitesimal characters. This symmetry is used to establish a duality of the…
We consider the important stage in evolution of close binary system namely common envelope phase in framework of various models of modified gravity. The comparison of results between calculations in Newtonian gravity and modified gravity…
The dynamics of internal spin, electronic orbital, and nuclear motion states of atoms and molecules have preoccupied the atomic and molecular physics community for decades. Increasingly, such dynamics are being examined within many-body…
This paper presents a novel approach for constructing neural networks which model charged particle beam dynamics. In our approach, the Taylor maps arising in the representation of dynamics are mapped onto the weights of a polynomial neural…
Large-scale computer simulations of chemical atoms are used in a wide range of applications, including batteries, drugs, and more. However, there is a problem with efficiency as it takes a long time due to the large amount of calculation.…
The problem of enumerating dimers on an M x N net embedded on non-orientable surfaces is considered. We solve both the Moebius strip and Klein bottle problems for all M and N with the aid of imaginary dimer weights. The use of imaginary…
The Mathematica toolkit AMBRE derives Mellin-Barnes (MB) representations for Feynman integrals in d=4-2eps dimensions. It may be applied for tadpoles as well as for multi-leg multi-loop scalar and tensor integrals. AMBRE uses a loop-by-loop…
Renormalization group procedure for effective particles (RGPEP) is applied in terms of a second-order perturbative computation to an Abelian gauge theory, as an example of application worth studying on the way toward derivation of a…
Conservation of symmetries plays a crucial role in both classical and quantum simulations of many-body systems, enabling the tracking of states with specific symmetry properties and leading to substantial reductions in the number of…