Comparison of line search minimization algorithms for exploring topography of multidimensional potential energy surfaces: Mg+Arn case. - J. Papadakis; George S. Fanourgakis; Stavros C. Farantos; M. Founargiotakis (J. Comput. Chem., 1997)

Reaction Paths and Elementary bifurcations Tracks: the Diabatic 1B2-State of ozone. - Stavros C. Farantos; Zheng-Wang Qu; Hui Zhu 009; R. Schinke (Int. J. Bifurc. Chaos, 2006)

Non-Linear Vibrational Normal Modes of Biomolecules. - Stavros C. Farantos (ICCSA Workshops, 2007)

A method for solving the molecular Schrödinger equation in Cartesian coordinates via angular momentum projection operators. - Jaime Suárez; Stavros C. Farantos; Stamatis Stamatiadis; Lucas Lathouwers (Comput. Phys. Commun., 2009)

auto_deriv: Tool for automatic differentiation of a Fortran code. - Stamatis Stamatiadis; Stavros C. Farantos (Comput. Phys. Commun., 2010)

Tuning Heme Functionality: The Cases of Cytochrome c Oxidase and Myoglobin Oxidation. - Vangelis Daskalakis; Stavros C. Farantos; Constantinos Varotsis (ICCSA (1), 2012)

Hamiltonian Computational Chemistry: Geometrical Structures in Chemical Dynamics and Kinetics. - Stavros C. Farantos (Entropy, 2024)