Showing 81–100 of 169 results
/ Date/ Name
Oct 28, 2021Bifurcations of Clusters and Collective Oscillations in Networks of Bistable UnitsOct 26, 2021Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation of motion coupled cluster theoryOct 1, 2021Smooth Normalizing FlowsJun 17, 2021Targeted free energy perturbation revisited: Accurate free energies from mapped reference potentialsJun 14, 2021Machine Learning Implicit Solvation for Molecular DynamicsMay 7, 2021Detection of Interstellar H$_2$CCCHC$_3$NFeb 2, 2021Computational catalyst discovery: Active classification through myopic multiscale samplingJul 4, 2020ExoMol line lists -- XXXIX. Ro-vibrational molecular line list for CO$_2$Jun 30, 2020Ferromagnetic contamination of Ultra-Low-Field-NMR sample containers. Quantification of the problem and possible solutionsJun 25, 2020Implementing the Independent Reaction Time method in Geant4 for radiation chemistry simulationsJun 3, 2020Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computerJun 3, 2020Equivariant Flows: Exact Likelihood Generative Learning for Symmetric DensitiesMay 23, 2020Descendant of the X-ogen carrier and a "mass of 69": Infrared action spectroscopic detection of HC$_3$O$^+$ and HC$_3$S$^+$Mar 4, 2020Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work-flowsMar 2, 2020ML4Chem: A Machine Learning Package for Chemistry and Materials ScienceFeb 16, 2020Stochastic Normalizing FlowsJan 29, 2020Efficient orbital imaging based on ultrafast momentum microscopy and sparsity-driven phase retrievalJan 16, 2020Enhanced Operational Stability of Perovskite Light-Emitting Electrochemical Cells Leveraging Ionic AdditivesJan 4, 2020Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur BatteriesNov 2, 2019Special Topic: Markov Models of Molecular Kinetics