Related papers: Gaussian Process Model for Collision Dynamics of C…
We consider collisional studies of linear polyatomic ions immersed in ultracold atomic gases and investigate the intermolecular interactions and chemical reactions of several molecular anions ($\mathrm{OH}^-$, $\mathrm{CN}^-$,…
High-energy particle collisions can convert energy into matter through the inelastic production of new particles. Quantum computers are an ideal platform for simulating the out-of-equilibrium dynamics of collisions and the formation of…
The differential cross-sections are calculated for proton-proton and proton-antiproton elastic scattering using the phenomenological model based on the analytic parameterizations for global scattering parameters (total cross-section and…
The high-temperature atom exchange and dissociation reaction dynamics of the O($^3$P) + O$_2(^3\Sigma_g^{-} )$ system are investigated based on a new reproducing kernel-based representation of high-level multi-reference configuration…
We propose a new modeling framework for highly-multivariate spatial processes that synthesizes ideas from recent multiscale and spectral approaches with graphical models. The basis graphical lasso writes a univariate Gaussian process as a…
We present a unified formalism for describing chemical reaction rates of trapped, ultracold molecules. This formalism reduces the scattering to its essential features, namely, a propagation of the reactant molecules through a gauntlet of…
The quantum many-electron problem is not just at the heart of condensed matter phenomena, but also essential for first-principles simulation of chemical phenomena. Strong correlation in chemical systems are prevalent and present a…
I develop and apply a Bayesian method for quantitatively estimating properties of the quark-gluon plasma (QGP), an extremely hot and dense state of fluid-like matter created in relativistic heavy-ion collisions. The QGP cannot be directly…
We report new elastic and inelastic cross sections for O($^3P$)+CO$_2$ scattering at collision energies from 0.03 to 5 eV, of major importance to O escape from Mars, Venus, and CO$_2$-rich atmospheres. The cross sections were calculated…
State-selected total cross sections and thermal rate coefficients are computed for the HD + $ortho$-/$para$-H$_2$ rotational energy transfer collision at low temperatures: 2 K $\lesssim$ T $\lesssim$ 300 K. A modified H$_2$-H$_2$ potential…
Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free energy…
The hypothesis of the multi peripheral model is extended to the hadron-nucleus interactions and then generalized to the nucleus-nucleus case. The processing of the model depends on input parameters that are extracted from the features of…
The mode specific dissociative chemisorption dynamics of ammonia on the Ru(0001) surface is investigated using a quasi-classical trajectory (QCT) method on a new global potential energy surface (PES) with twelve dimensions. The PES is…
This work provides a computationally efficient and statistically consistent moment-based estimator for mixtures of spherical Gaussians. Under the condition that component means are in general position, a simple spectral decomposition…
Gaussian processes allow for flexible specification of prior assumptions of unknown dynamics in state space models. We present a procedure for efficient Bayesian learning in Gaussian process state space models, where the representation is…
This paper proposes a proprioceptive collision detection algorithm based on Gaussian Regression. Compared to sensor-based collision detection and other proprioceptive algorithms, the proposed approach has minimal sensing requirements, since…
Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the…
Driven by the Beam Energy Scan (BES) program at the RHIC, researches and discussions on the QCD phase diagram have flourished recently. In order to provide a reference from microscopic transport models, we performed a systematic analysis,…
We report on a very large set of simulations of collisions between two main sequence (MS) stars. These computations were done with the ``Smoothed Particle Hydrodynamics'' method. Realistic stellar structure models for evolved MS stars were…
We calculate elastic scattering of positronium (Ps) by the Xe atom using the recently developed pseudopotential method [I. I. Fabrikant and G. F. Gribakin, Phys. Rev. A 90, 052717 (2014)] and review general features of Ps scattering from…