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Fine-structure transitions can be involved in various processes including photon absorption, charge transfer and inelastic collision between ions, electrons and neutral atoms. We present fine-structure excitation and relaxation cross…
High-energy electron scattering is a clean and precise probe for measurements of hadronic and nuclear structure, with a key role in understanding the role of high-momentum nucleons (and quarks) in nuclei. Jefferson Lab has dramatically…
[New and updated results were published in Nature Chemistry, doi:10.1038/s41557-020-0544-y.] The electronic Schr\"odinger equation describes fundamental properties of molecules and materials, but can only be solved analytically for the…
The study of exotic nuclear structures, such as halo nuclei, is usually performed through nuclear reactions. An accurate reaction model coupled to a realistic description of the projectile is needed to correctly interpret experimental data.…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular…
We present the results of 3D, high-resolution calculations of neutron star mergers. Using Newtonian gravity, but adding the forces from the emission of gravitational waves, we solve the hydrodynamics equations using the smoothed particle…
Electron collisions with O$_2$ at scattering energies below 1 eV are studied in the fixed-nuclei approximation for a range of internuclear separations using the ab initio molecular R-matrix method. The $^2\Pi_g$ scattering eigenphases and…
Precise neutrino energy reconstruction is essential for next-generation long-baseline oscillation experiments, yet current methods remain limited by large uncertainties in neutrino-nucleus interaction modeling. Even so, it is well…
I discuss methods for identifying and quantifying phase transitions in particle collisions, concentrating on two techniques for use in ultra-relativistic nuclear collisions. The first technique is to use rapidity correlation measurements to…
An algorithm for the calculation of hyperfine structure and spectra of diatomic molecules based on the variational nuclear motion is presented. Hyperfine coupling terms considered are Fermi-contact, nuclear spin-electron spin dipole-dipole,…
Among the possible types of magnetic dipole interactions in molecular systems, couplings between nuclear motion and the nuclear spin have probably received the least attention in molecular spectroscopy. Although very small in comparison to…
Quantum proton tunneling (QPT) in the two representative multi-electron/-proton transfer electrode processes, i.e. hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR), was investigated by using polycrystalline platinum…
The equations of hydrodynamics are rewritten in sense of functionals with values in Non-Archimedean field of Laurent series or $\mathbf{R}<\epsilon>$-distributions. A new ideology for understanding of conservation laws is proposed. A set of…
Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…
The differential cross section in the transverse momentum $Q$ and a total cross section of $(31\pm4)$ mb for the coherent dissociation of a 3-A-GeV/$c$ $^7$Li nucleus through the $^3$H$+^4$He channel have been measured on emulsion nuclei.…
Nuclear quadrupolar resonance (NQR) spectroscopy reveals chemical bonding patterns in materials and molecules through the unique coupling between nuclear spins and local fields. However, traditional NQR techniques require macroscopic…
In the field of molecular electronics, particularly in quantum transport studies, the orientation of molecules plays a crucial role. This orientation, with respect to the electrodes, can be defined through the cavity of ring-shaped…
Based on quantum-mechanical path-integral molecular dynamics simulations the impact of nuclear quantum effects on the vibrational and hydrogen bond dynamics in liquid water is investigated. The instantaneous fluctuations in the frequencies…
Semi-leptonic electroweak interactions in nuclei - such as \beta decay, \mu capture, charged- and neutral-current neutrino reactions, and electron scattering - are described by a set of multipole operators carrying definite parity and…