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An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules

EngineeringPotential Energy SurfacesNatural SciencesApplied PhysicsPhysical ChemistryMolecular ComputingComputational ChemistryQuantum ChemistryChemistryEnergy MinimizationAdaptive Density-guided ApproachPolyatomic MoleculesMolecular DesignComputational Biophysics