Hydrogen clathrate hydrates are ice-like crystalline substances in which hydrogen molecules are trapped inside polyhedral cages formed by the water molecules. Small cages can host only a single H-2 molecule, while each large cage can be occupied by up to f ...
Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...
Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...
We study the solution of the two-temperature Fokker-Planck equation and rigorously analyse its convergence towards an explicit non-equilibrium stationary measure for long time and two widely separated time scales. The exponential rates of convergence are e ...
The thermal behavior of 3-benzoylpropionic acid (BPA) was investigated using single-crystal and synchrotron powder X-diffraction, as well as differential scanning calorimetry analysis. The study revealed the existence of two subtly distinct structures of B ...
Environment is assumed to play a negative role in quantum mechanics, destroying the coherence in a quantum system and, thus, randomly changing its state. However, for a quantum system that is initially in a degenerate ground state, the situation could be d ...
We present a nonperturbative recipe for directly computing the S-matrix in strongly-coupled QFTs. The method makes use of spectral data obtained in a Hamiltonian framework and can be applied to a wide range of theories, including potentially QCD. We demons ...
Simplicial Kuramoto models have emerged as a diverse and intriguing class of models describing oscillators on simplices rather than nodes. In this paper, we present a unified framework to describe different variants of these models, categorized into three ...
Fields of technology as diverse as microwave filter construction, characterization of material interfaces with atomic precision, and detection of gravitational waves from astronomical sources employ mechanical resonators at their core. The utility of mecha ...
We investigate the long-time properties of the two-dimensional inviscid Boussinesq equations near a stably stratified Couette flow, for an initial Gevrey perturbation of size & epsilon;. Under the classical Miles-Howard stability condition on the Richardso ...
