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The reliability of the recently proposed natural orbital functional supplemented with second-order M{\o}ller-Plesset calculations, (NOF-MP2), has been assessed for the mechanistic studies of elementary reactions of transition metal…
We propose and demonstrate an experimental scheme to engineer thermal baths with independently tunable temperatures and dissipation rates for the motional modes of a trapped-ion system. This approach enables robust thermal-state preparation…
We present a modular and thermodynamically consistent modeling framework for simulating steady-state and transient behavior in fixed-bed reactors. Accurate simulation of dynamic reactor behavior is essential for enabling flexible operation…
Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
In this work, the characterization of the full-power steady state of the TRIGA Mark II nuclear reactor of the University of Pavia is performed by coupling Monte Carlo (MC) simulation for neutronics with "Multiphysics" model for…
Model atmospheres have been computed for M dwarfs that are strongly irradiated by nearby hot companions. A variety of primary and secondary spectral types are explored in addition to models specific to four known systems: GD 245, NN Ser, AA…
High-precision nucleon-resonance electroproduction data on a large kinematic domain of energy and momentum transfer have proven crucial in revealing novel features of strong interactions within the Standard Model and unfolding structural…
Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…
The prediction of possible ordering of neutrino masses relies mostly on the model selected. Alienating the $\mu-\tau$ interchange symmetry from discrete flavour symmetry based models, turns the neutrino mass matrix less predictive. But this…
We study the importance of the thermal behavior of the hadron-quark phase transition in neutron star (NS) mergers. To this end, we devise a new scheme approximating thermal effects to supplement any cold, barotropic hybrid equation of state…
The kinetics of the reactions of nitrogen dioxide, NO$_2$, with atomic oxygen and atomic carbon in their ground triplet states ($^3$P) have been studied at room temperature and below using a supersonic flow (Laval nozzle) reactor. O($^3$P)…
We show that in a reactor disappearance oscillation experiment the sensitivity to the mixing parameter can be substantially improved for $(1 - 5\cdot10^{-4}) eV^{2}$ mass parameter range which includes both the LSND and the atmospheric…
Nucleon properties are modified in the nuclear medium. To understand these modifications and their origin is a central issue in nuclear physics. For example, a wide variety of QCD-based models, including quark-meson coupling and…
We present a new set of solar metallicity atmosphere and evolutionary models for very cool brown dwarfs and self-luminous giant exoplanets, which we term ATMO 2020. Atmosphere models are generated with our state-of-the-art 1D…
We present a method to design driving protocols that achieve fast thermal equilibration of a system of interest using techniques inspired by machine learning training algorithms. For example, consider a Brownian particle manipulated by…
Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic Thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational…
We introduce TRENTO, a new parametric initial condition model for high-energy nuclear collisions based on eikonal entropy deposition via a "reduced thickness" function. The model simultaneously describes experimental proton-proton,…
Phase transitions of reaction-diffusion systems with site occupation restriction and with particle creation that requires n=3,4 parents, whereas explicit diffusion of single particles (A) is present are investigated in low dimensions by…
Atmospheric convection behaves differently in hydrogen-rich atmospheres compared to higher mean molecular weight atmospheres due to compositional gradients of tracers. Previous 1D studies predict that when a condensible tracer exceeds a…