Generalized Potential Energy Finite Elements for Modeling Molecular Nanostructures. - Stavros Chatzieleftheriou; Matthew R. Adendorff; Nikos D. Lagaros (J. Chem. Inf. Model., 2016)

SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information. - Stavros Chatzieleftheriou; Stefanos Anogiannakis; Doros N. Theodorou; Nikos D. Lagaros (J. Chem. Inf. Model., 2019)