Showing 101–120 of 169 results
/ Date/ Name
Sep 30, 2019Error detection on quantum computers improves accuracy of chemical calculationsSep 16, 2019Deep neural network solution of the electronic Schrödinger equationAug 28, 2019Nonadiabatic time-dependent density-functional theory at the cost of adiabatic local density approximationAug 5, 2019Roadmap on STIRAP applicationsJun 25, 2019Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum DevicesMay 28, 2019Large Polaron Generation and Dynamics in 3D Metal-Halide PerovskitesApr 3, 2019Spurious Ferromagnetic Remanence Detected by Hybrid MagnetometerFeb 27, 2019Atomistic structure learningFeb 12, 2019Constraints on bosonic dark matter from ultralow-field nuclear magnetic resonanceFeb 12, 2019Electro-Oxidation of p-Silicon in Fluoride-Containing Electrolyte: A Physical Model for the Regime of Negative Differential ResistanceDec 18, 2018Machine Learning for Molecular Dynamics on Long TimescalesNov 28, 2018Variational Selection of Features for Molecular KineticsNov 21, 2018Rapid Prediction of Electron-Ionization Mass Spectrometry using Neural NetworksSep 3, 2018State resolved investigation of Förster resonant energy transfer in collisions between polar molecules and Rydberg atomsApr 20, 2018Grand canonical diffusion-influenced reactions: a stochastic theory with applications to multiscale reaction-diffusion simulationsApr 5, 2018Vacuum-enhanced optical nonlinearities with organic molecular photoswitchesDec 21, 2017MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulationsDec 11, 2017Simultaneous Detection of H and D NMR Signals in a micro-Tesla FieldOct 30, 2017Time-lagged autoencoders: Deep learning of slow collective variables for molecular kineticsOct 25, 2017Time-dependent wave packet dynamics calculations of cross sections for ultracold scattering of molecules