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We present a rigorously formulated, novel operator-based framework that merges ideas from condensed matter physics, continuum mechanics, and quantum-inspired theory to analyze collective virion behavior in complex environments. By modeling…
Here we propose the Variational Discrete Action Theory (VDAT) to study the ground state properties of quantum many-body Hamiltonians. VDAT is a variational theory based on the sequential product density matrix (SPD) ansatz, characterized by…
In this paper we develop a Lagrangian Inertial Centroidal Voronoi Particle (LICVP) method to extend the original CVP method \cite{fu2017physics} to dynamic load balancing in particle-based simulations. Two new concepts are proposed to…
Three general modes are distinguished in the deformation of a thin shell; these are stretching, drilling, and bending. Of these, the drilling mode is the one more likely to emerge in a soft matter shell (as compared to a hard, structural…
Fragmentation methods applied to multireference wave functions constitute a road towards the application of highly accurate ab initio wave function calculations to large molecules and solids. However, it is important for reproducibility and…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemented functional forms for the coupling terms depend on complex…
In 1931, Onsager proposed a variational principle which has become the base of many kinetic equations for non-equilibrium systems. We have been showing that this principle is useful in obtaining approximate solutions for the kinetic…
This paper examines the oscillatory behaviour of complex viscoelastic systems with power law-like relaxation behaviour. Specifically, we use the fractional Maxwell model, consisting of a spring and fractional dashpot in series, which…
In this report, we present a dynamical systems' approach to study the exact nonlinear wave-particle interaction in relativistic regime. We give a particular attention to the effect of wave obliquity on the dynamics of the orbits by studying…
A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…
Liquid drops slide more slowly over soft, deformable substrates than over rigid solids. This phenomenon can be attributed to the viscoelastic dissipation induced by the moving wetting ridge, which inhibits a rapid motion, and is called…
We introduce an Eulerian approach for problems involving one or more soft solids immersed in a fluid, which permits mechanical interactions between all phases. The reference map variable is exploited to simulate finite-deformation…
The variational approach usually used in phase field models (PFVA) is applied here to analyse complex irreversible processes such as thermoelectric (TE) effects and thermally driven mass transport (TDMT). Complex irreversible processes…
A simple variational Lagrangian is proposed for the time development of an arbitrary density matrix, employing the "factorization" of the density. Only the "kinetic energy" appears in the Lagrangian. The formalism applies to pure and mixed…
We introduce a variational method for simulating the dynamics of interacting open quantum spin systems. The method is based on the spin phase-space representation and variationally targets the Husimi-$Q$ function with an ansatz based on a…
This study explores an inertial-based contraction-type approach for addressing monotone variational inclusion problems (in short, MVIP) within real Hilbert spaces. Most contraction-type techniques assume Lipschitz continuity and…
We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow…
The motion of flexible fibers through structured fluidic environments is ubiquitous in nature and industrial applications. Most often, their dynamics results from the complex interplay between internal elastic stresses, contact forces and…
Multiscale and multiphysics problems need novel numerical methods in order for them to be solved correctly and predictively. To that end, we develop a wavelet based technique to solve a coupled system of nonlinear partial differential…