Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00964
Abstract: In recent years, a number of quantum mechanical-molecular mechanical (QM/MM) enzyme studies have investigated the dependence of reaction energetics on the size of the QM region using energy and free energy calculations. In this study,… read more here.
Keywords: energy; size; proton transfer; energy free ... See more keywords
A Superhydrophobic Dual-Mode Film for Energy-Free Radiative Cooling and Solar Heating
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c01947
Abstract: Traditional electric cooling in summer and coal heating in winter consume a huge amount of energy and lead to a greenhouse effect. Herein, we developed an energy-free dual-mode superhydrophobic film, which consists of a white… read more here.
Keywords: energy free; film; dual mode; heating ... See more keywords
Energy-free machine learning force field for aluminum
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-08455-3
Abstract: We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a… read more here.
Keywords: machine; machine learning; free machine; learning force ... See more keywords
Jaynes-Cummings interaction between low-energy free electrons and cavity photons.
Sign Up to like & getrecommendations! Published in 2023 at "Science advances"
DOI: 10.1126/sciadv.adh2425
Abstract: The Jaynes-Cummings Hamiltonian is at the core of cavity quantum electrodynamics; however, it relies on bound-electron emitters fundamentally limited by the binding Coulomb potential. In this work, we propose theoretically a new approach to realizing… read more here.
Keywords: cavity; low energy; energy free; free electrons ... See more keywords
Plane Gravitational Waves, the Kinetic Energy of Free Particles and the Memory Effect
Sign Up to like & getrecommendations! Published in 2018 at "Gravitation and Cosmology"
DOI: 10.1134/s020228931803009x
Abstract: It is shown that in the passage of a short burst of nonlinear plane gravitational wave, the kinetic energy of free particles may either decrease or increase. The decrease or increase of the kinetic energy… read more here.
Keywords: kinetic energy; energy; plane gravitational; energy free ... See more keywords