Curt M. Breneman

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Machine Learning Aided Design and Optimization of Thermal Metamaterials

Prediction of polymer properties using infinite chain descriptors (ICD) and machine learning: Toward optimized dielectric polymeric materials

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis