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Unravelling the origins of single-atom catalyst reactivity is a central challenge in heterogeneous catalysis research. A key question is whether the activity arises solely from atomic isolation or from distinct structural and electronic…
Dynamics of the singlet-triplet crystalline electric field (CEF) system at finite temperatures is discussed by use of the non-crossing approximation. Even though the Kondo temperature is smaller than excitation energy to the CEF triplet,…
The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…
Electromagnetically Induced Transparency (EIT) cooling is a well-established method for preparing trapped ion systems in their motional ground state. However, isolating a three-level system, as required for EIT cooling, is often challenging…
When a three-dimensional electron gas is subjected to a very strong magnetic field, it can reach a quasi-one-dimensional state in which all electrons occupy the lowest Landau level. This state is referred to as the extreme quantum limit…
We formalize energy-scaling arguments in the Standard Model Effective Field Theory (SMEFT) to estimate effects of operators up to dimension ten. Introducing a classification based on the number of external legs and an energy-counting…
Nonadiabatic effects in chemical reaction at metal surfaces, due to excitation of electron-hole pairs, stand at the frontier of the studies of gas-surface reaction dynamics. However, the first principles description of electronic excitation…
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…
Dynamical properties are studied numerically for a variant of the Kondo model with singlet and triplet crystalline electric field (CEF) levels where Kondo and CEF singlets compete for the ground state. Using the continuous-time quantum…
We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved---or to account for chemical reactions,…
Mu2e and COMET will search for electrons produced via the neutrinoless conversion of stopped muons bound in 1s atomic orbits of $^{27}$Al, improving existing limits on charged lepton flavor violation (CLFV) by roughly four orders of…
Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpotential remains a challenge. In this paper, we predicted five…
We present a simple introduction to the techniques of effective field theory (EFT) and their application to QCD. For problems with more than one energy scale, the EFT approach is a useful alternative to more traditional model-building…
The response of water to electric fields is critical to the performance and stability of electrochemical devices, and the selectivity of enzymatic, atmospheric, and organic reactions. A key process in this context is the water…
The one-loop finite temperature effective potential of QED in an external electromagnetic field is obtained using the worldline method. The general structure of the temperature dependent part of the effective action in an arbitrary external…
The dilepton production rate in hot QCD medium is studied within a effective description of the medium in the presence of magnetic field. This could be done by obtaining the one-loop self energy of photon due to the effective (quasi-) quark…
We study conformational and electrophoretic properties of polyelectrolytes (PEs) in tetravalent salt solutions under the action of electric fields by means of molecular dynamics simulations. Chain conformations are found to have a sensitive…
Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar,…
Electronic polarization and dispersion are decisive actors in determining interaction energies between molecules. These interactions have a particularly profound effect on excitation energies of molecules in complex environments, especially…
The electromagnetic energy equation is analyzed term by term in a 3D simulation of kinetic reconnection previously reported by \citet{vapirev2013formation}. The evolution presents the usual 2D-like topological structures caused by an…