Michel Dupuis

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations

Parallel Calculations, Engineering, Detailed Speecup Results +18

Evaluation of molecular integrals over Gaussian basis functions

Michel Dupuis, J. Rys, Harry F. King · The Journal of Chemical Physics · 1976 · 766 citations

Spectral Theory, Engineering, Computational Chemistry +17

High performance computational chemistry: An overview of NWChem a distributed parallel application

Ricky A. Kendall, Edoardo Aprà, David E. Bernholdt et al. · Computer Physics Communications · 2000 · 739 citations

Cluster Computing, Chemical Engineering, Massively-parallel Computing +11

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24

G. J. B. Hurst, Michel Dupuis, E. Clementi · The Journal of Chemical Physics · 1988 · 475 citations

Engineering, Finite Polyenes, Organic Chemistry +16

Frequency dependent nonlinear optical properties of molecules: Formulation and implementation in the HONDO program

Shashi P. Karna, Michel Dupuis · Journal of Computational Chemistry · 1991 · 442 citations

Numerical Analysis, Optical Materials, Engineering +17