Related papers: The method of Gaussian weighted trajectories. V. O…
We present a study of vibrational quenching and chemical processes of molecular ions immersed in an ultracold atomic gas by means of the quasi-classical trajectory (QCT) method. In particular, BaRb$^+(v)$ + Rb collisions are studied at cold…
The present contribution introduces a fourth-order moment formalism for particle trajectory crossing (PTC) in the framework of multiscale modeling of disperse multiphase flow. In our previous work, the ability to treat PTC was examined with…
The vibrational predissociation of the Ne2Br2(B) van der Waals complex has been investigated using the quasi-classical trajectory method (QCT), in the range of vibrational levels v' = 16-23. Extensive comparison is made with the most recent…
We present a new analytical framework for describing the dynamics of a gravitational binary system with unequal masses moving with arbitrary relative velocity, taking into account the backreaction from both compact objects in the form of…
The GW approximation of many-body perturbation theory is an accurate method for computing electron addition and removal energies of molecules and solids. In a canonical implementation, however, its computational cost is $O(N^4)$ in the…
The calculation of electronic conductance of nano-scale junctions from first principles is a long standing problem in molecular electronics. Here we demonstrate excellent agreement with experiments for the transport properties of the…
We generalize the de Broglie-Bohm (dBB) formulation of quantum mechanics to the case of quantum gravity (QG) by using the effective action for a QG theory. This is done by replacing the dBB equations of motion with the effective action…
Purpose: Cone-beam CT (CBCT) projection images provide anatomical data in real-time over several respiratory cycles, forming a comprehensive picture of tumor movement. We developed and validated a method which uses these projections to…
We propose an extension of the Ellipsoidal-Statistical BGK model to account for discrete levels of vibrational energy in a rarefied polyatomic gas. This model satisfies an H-theorem and contains parameters that allow to fit almost arbitrary…
Complexified Lienard-Wiechert potentials simplify the mathematics of Kerr-Newman particles. Here we constrain them by fiat to move along Bohmian trajectories to see if anything interesting occurs, as their equations of motion are not known.…
We present an application of the blackbox matrix-matrix multiplication (BBMM) algorithm to scale up the Gaussian Process (GP) training of molecular energies in the molecular-orbital based machine learning (MOB-ML) framework. An alternative…
This work presents the first Bayesian inference study of the (3+1)D dynamics of relativistic heavy-ion collisions and Quark-Gluon Plasma (QGP) viscosities using an event-by-event (3+1)D hydrodynamics + hadronic transport theoretical…
Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…
Simulating chemical dynamics is computationally challenging, especially for nonadiabatic dynamics, where numerically exact classical simulations scale exponentially with system size, becoming intractable for even small molecules. On quantum…
We construct a class of variational methods for the study of open quantum systems based on Gaussian ansatzes for the quantum trajectory formalism. Gaussianity in the conjugate position and momentum quadratures is distinguished from…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
We present a novel perspective on gravity-induced wave function reduction using Bohmian trajectories. This study examines the quantum motion of both point particles and objects, identifying critical parameters for the transition from…
Classical option pricing schemes assume that the value of a financial asset follows a geometric Brownian motion (GBM). However, a growing body of studies suggest that a simple GBM trajectory is not an adequate representation for asset…
The recent experimental proposals by Bose et al. and Marletto et al. (BMV) outline a way to test for the quantum nature of gravity by measuring gravitationally induced differential phase accumulation over the superposed paths of two…
The gravitational waveform of a merging stellar-mass binary is described at leading order by a quadrupolar mode. However, the complete waveform includes higher-order modes, which encode valuable information not accessible from the…