Diploma: Johannes-Gutenberg University of Mainz, Germany 1988
Ph.D: University of Mainz 1995
My research interests focus on the theoretical prediction of linear and nonlinear optical (NLO) properties of molecules, nanomaterials and condensed phases. In an effort to develop efficient methods to compute the NLO properties of materials, we have developed and implemented an approach for the computation of the NLO properties of molecular crystals, liquids and polymers. We are trying to extend these methods to novel materials, like nanomaterials, which show very promising NLO properties.
Selected Recent Publications:
1. Luis, JM; Reis, H; Papadopoulos,M; Kirtman,B
Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3, J. Chem. Phys. 131 (2009) 034116.
2. Avramopoulos, A; Papadopoulos, MG; Reis, H
Calculation of the microscopic and macroscopic linear and nonlinear optical properties of liquid acetonitrile. II. Local fields and linear and nonlinear susceptibilities in quadrupolar approximation
J. Phys. Chem. B 111 (2007) 2546-2553.
3. Reis, H
Problems in the comparison of theoretical and experimental hyperpolarizabilities revisited
J. Chem. Phys. 125 (2006) 014506
4. Reis, H; Papadopoulos, MG; Grzybowski, A
Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilitities
J. Phys. Chem. B 125 (2006) 18537-18552
5. Makowska-Janusik M, Reis H, Papadopoulos MG, et al.
Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrix
J. Phys. Chem. B 108 (2004) 588-596.