Related papers: Full Quantum dynamics study for H atom scattering …
The long-standing challenge to describing charged particle dynamics in strong classical electromagnetic fields is how to incorporate classical radiation, classical radiation reaction and quantized photon emission into a consistent unified…
Although molten carbonates only represent, at most, a very minor phase in the Earth's mantle, they are thought to be implied in anomalous high-conductivity zones in its upper part (70-350 km). Besides the high electrical conductivity of…
Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…
Within the framework of the Zakharov-Schulman approach, in close analogy with the methods of quantum field theory, the classical scattering matrix for the simplest process of interaction between hard and soft excitations in a quark-gluon…
Antisymmetrized molecular dynamics (AMD) with quantum branching processes is reformulated so that it can be applicable to the collisions of heavy nuclei such as Au + Au multifragmentation reactions. The quantum branching process due to the…
We calculate the interaction energy and force between atoms and molecules and single-walled carbon nanotubes described by the Dirac model of graphene. For this purpose the Lifshitz-type formulas adapted for the case of cylindrical geometry…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
We present a novel potential model for calculating the interaction between a molecule and a single graphene sheet. The dispersion/repulsion, induction, dipole-quadrupole, quadrupole-quadrupole interactions between a fluid molecule and a…
We propose a method for multi-scale hybrid simulations of molecular dynamics (MD) and computational fluid dynamics (CFD). In the method, usual lattice-mesh based simulations are applied for CFD level, but each lattice is associated with a…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
We present a quantum mechanical study of the diatomic hydrogen $H(^{2}S)$ and oxygen $O(^{3}P)$ collision and energy transfer for its four molecular symmetry $(X^{2}\Pi, ^{2}\Sigma^{-}, ^{4}\Pi, ^{4}\Sigma^{-})$, which is important for the…
The dissociative adsorption of hydrogen on Pd(100) has been studied by ab initio quantum dynamics and ab initio molecular dynamics calculations. Treating all hydrogen degrees of freedom as dynamical coordinates implies a high dimensionality…
The influence of hydrated cation-{\pi} interaction forces on the adsorption and filtration capabilities of graphene-based membrane materials is significant. However, the lack of interaction potential between hydrated Cs+ and graphene limits…
When an hydrogen atom is brought near to the interface between $\theta$-media, the quantum-mechanical motion of the electron will be affected by the electromagnetic interaction between the atomic charges and the $\theta$-interface, which is…
We investigate the on-shell approximation in the context of s-wave scattering for ultracold two-body collisions. Our analysis systematically covers spatial dimensions D=1,2,3 , with the aim of identifying the regimes in which the…
We introduce the transition-density formalism, an efficient and general method for calculating the interaction of external probes with light nuclei. One- and two-body transition densities that encode the nuclear structure of the target are…
Nonlinear dynamics in the fundamental interaction between a two-level atom with recoil and a quantized radiation field in a high-quality cavity is studied. We consider the strongly coupled atom-field system as a quantum-classical hybrid…
Quantum plasma physics is a rapidly evolving research field with a very inter-disciplinary scope of potential applications, ranging from nano-scale science in condensed matter to the vast scales of astrophysical objects. The theoretical…
We propose and study a quantum pump which emulates a traditional paddlewheel, that can be implemented with ultracold atoms in waveguides. We use wavepacket propagation to study its single-mode dynamics, which also determines its multimode…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…