Related papers: Extraction of the interaction parameters for $\alp…
The design of moderators and cold sources of neutrons is a key point in research-reactor physics, requiring extensive knowledge of the scattering properties of very important light molecular liquids such as methane, hydrogen and their…
We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
We consider the exchange couplings present in an effective Hamiltonian of $\alpha$-RuCl$_3$, known as the K-$\Gamma$ model. This material has a honeycomb lattice, and is expected to be a representative of the Kitaev materials (which can…
The physical characterisation and understanding of molecular magnetic materials is one of the most important steps towards the integration of such systems in hybrid spintronic devices. Amongst the many characterisation techniques employed…
The nucleon structure study in nuclear deep inelastic scattering is considered. It is shown that nuclear data provide a new source of information about dynamics of parton distributions in the nucleon. An example of the neutron structure…
RuCl$_3$ was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the $_{44}$Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant…
Machine learning has been widely applied to clearly defined problems of astronomy and astrophysics. However, deep learning and its conceptual differences to classical machine learning have been largely overlooked in these fields. The broad…
We propose a computational framework, Hetero-EUCLID, for segmentation and parameter identification to characterize the full hyperelastic behavior of all constituents of a heterogeneous material. In this work, we leverage the Bayesian-EUCLID…
Electromagnetic multipole expansion theory underpins nanoscale light-matter interactions, particularly within subwavelength meta-atoms, paving the way for diverse and captivating optical phenomena. While conventionally brute force…
We study the spin-1 pyrochlore material NaCaNi$_2$F$_7$ with a combination of molecular dynamics simulations, stochastic dynamical theory and linear spin wave theory. The dynamical structure factor from inelastic neutron scattering is well…
Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially…
Advanced satellite-born remote sensing instruments produce high-resolution multi-spectral data for much of the globe at a daily cadence. These datasets open up the possibility of improved understanding of cloud dynamics and feedback, which…
We propose a general framework to extract microscopic interactions from raw configurations with deep neural networks. The approach replaces the modeling Hamiltonian by the neural networks, in which the interaction is encoded. It can be…
The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the parameterization of the effective Hamiltonian is…
The layered honeycomb magnet alpha-RuCl3 has been proposed as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled jeff=1/2 Ru4+ magnetic moments. Here we…
A realistic first-principle-based spin Hamiltonian is constructed for the type-II multiferroic NiI$_2$, using a symmetry-adapted cluster expansion method. Besides single ion anisotropy and isotropic Heisenberg terms, this model further…
The event rates for WIMP-nucleus and neutrino-nucleus scattering processes, expected to be detected in ton-scale rare-event detectors, are investigated. We focus on nuclear isotopes that correspond to the target nuclei of current and future…
We study the spin-wave excitations in $\alpha$-RuCl$_3$ by the spin-wave theory. Starting from the five-orbital Hubbard model and the perturbation theory, we derive an effective isospin-$1/2$ model in the large Hubbard ($U$) limit. Based on…
Diffusion magnetic resonance imaging is sensitive to the microstructural properties of brain tissue. However, estimating clinically and scientifically relevant microstructural properties from the measured signals remains a highly…