SEARCH Articles Figures Tables Ab Initio Quantum Simulation in Solid State Chemistry Ab initio quantum simulation Biomolecular simulations, quantum mechanical Bond activation quantum mechanical simulations Computer simulations Quantum Monte Carlo Hybrid quantum and molecular mechanical simulation Kinetic Monte Carlo simulation quantum systems Molecular dynamics simulations quantum mechanical charge field Molecular dynamics simulations quantum mechanics Molecular dynamics/simulation quantum chemical calculations Multiscale quantum simulations Multiscale quantum simulations applications Multiscale quantum simulations computational approach Multiscale quantum simulations using Proton motion—quantum-dynamical simulation Quantum Monte Carlo simulation Quantum dynamical simulations Quantum dynamics simulations Quantum mechanical simulation technique Quantum mechanical simulations Quantum mechanical/molecular mechanics QM/MM) simulation Quantum mechanics methods simulations Quantum mechanics simulations Quantum model simulations Quantum systems simulations Quantum-Based Analytic Interatomic Forces and Materials Simulation Simulated Spectrum as a Combination of Statistical Model and ab initio Quantum Chemistry Simulation methods quantum effects Simulation techniques quantum methods Structure simulation models using quantum mechanical method The analysis and simulation of multiple quantum spectra Theory of Nuclear Quantum Dynamics Simulations Thermal quantum chemical simulations Time-Dependent Nuclear Quantum Dynamics Simulations