John M. Millam

Establishing reaction networks in the 16-electron sulfur reduction reaction

Closed-loop recyclability of a biomass-derived epoxy-amine thermoset by methanolysis

Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations