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In multi-dimensional time-resolved spectroscopic experiments, multiple (more than two) short laser pulses with variable pulse delay times are employed for the time-resolved exploration of the photoinduced dynamics of molecular chromophores.…

The paper considers a coupled system of linear Boltzmann transport equations (BTE), and its Continuous Slowing Down Approximation (CSDA). This system can be used to model the relevant transport of particles used e.g. in dose calculation in…

A three- and five-component nonlinear Schrodinger-type models, which describe spinor Bose-Einstein condensates (BEC's) with hyperfine structures F=1 and F=2 respectively, are studied. These models for particular values of the coupling…

In the present work, we use the homotopy perturbation method (HPM) to solve the Newell- Whitehead-Segel non-linear differential equations. Four case study problems of Newell-Whitehead- Segel are solved by the HPM and the exact solutions are…

Distortions in a family of conjugated polymers are studied within two complementary approaches, i.e. within a many-body Valence Bond (VB) approach using a transfer matrix technique to treat the Heisenberg model of the systems, and also in…

Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions. Here we introduce a machine learning model…

Computer simulations of many-body quantum dynamics of indistinguishable particles is a challenging task for computational physics. In this paper we demonstrate that the method of coupled coherent states (CCS) developed previously for…

For the first time, a fully-coupled Harmonic Balance method is developed for the forced response of turbomachinery blades. The method is applied to a state-of-the-art model of a turbine bladed disk with interlocked shrouds subjected to…

The central problem in electronic structure theory is the computation of the eigenvalues of the electronic Hamiltonian -- an unbounded, self-adjoint operator acting on a Hilbert space of antisymmetric functions. Coupled cluster (CC)…

This paper explores the analytical approach for obtaining the multiple solutions of three-wave interacting system in (1+1) dimensions. We present a novel approach by expressing the wave solutions in terms of Jacobi elliptic functions and…

We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…

Problems of interpolation, classification, and clustering are considered. In the tenets of Radon--Nikodym approach $\langle f(\mathbf{x})\psi^2 \rangle / \langle\psi^2\rangle$, where the $\psi(\mathbf{x})$ is a linear function on input…

The ion distribution around charged colloids in solution has been investigated intensely during the last decade. However, few theoretical approaches have included the influence of variation in the dielectric permittivity within the system,…

We present a molecular simulation method to simultaneously find multiple transition pathways, and their associated free-energy profiles. The scheme extends path-metadynamics (PMD) [Phys. Rev. Lett. 109, 020601 (2012)] with multiple paths…

Constraint Satisfaction Problems (CSP) constitute a convenient way to capture many combinatorial problems. The general CSP is known to be NP-complete, but its complexity depends on a template, usually a set of relations, upon which they are…

We develop theory for a flattened dipolar Bose-Einstein condensate (BEC) produced by harmonic confinement along one direction. The role of both short-ranged contact interactions and long-ranged dipole-dipole interactions (DDIs) is…

We find non-BPS solutions of the noncommutative CP^1 model in 2+1 dimensions. These solutions correspond to soliton anti-soliton configurations. We show that the one-soliton one-anti-soliton solution is unstable when the distance between…

To follow up on the unexpectedly-good performance of several coupled-cluster models with approximate inclusion of 3-body clusters [J. Chem. Phys. 151, 064102 (2019)] we performed a more complete assessment of the 3CC method [J. Chem. Phys.…

Let $(\mathcal{M},g)$ be a smooth compact Riemannian manifold of dimension $N\geq 8$. We are concerned with the following elliptic system \begin{align*} \left\{ \begin{array}{ll} -\Delta_g u+h(x)u=v^{p-\alpha \varepsilon}, \ \ &\mbox{in}\…

Modern cyber-physical systems (CPS) integrate physics, computation, and learning, demanding modeling frameworks that are simultaneously composable, learnable, and verifiable. Yet existing approaches treat these goals in isolation: causal…