psipsi

Enrico Clementi

Clementi

Born November 19, 1931 in Cembra, Italy.

Retired. Addresss: Via Carloni 38, 22100 Como, Italy. Tel. +39 031 3370616

Email:enrico.clementi@tin.it

Doctoral degree from the University of Pavia, Italy, 1954, Poststdoctoral with Nobel G. Natta, Prof. M. Kasha, Prof. K. S. Pitzer, Nobel R. S. Mulliken. Founder and Manager of computational chemistry departments : Large Scale Scientific Computations (at IBM Research, San José, California, 1960–74); Calcolo Chimico (Istituto Donegani, Montedison, Novara, Italy, 1974–79); Scientific and Engineering Computations (IBM Poughkeepsie and IBM Kingston, New York, 1979–91); Chimica Computazionale (CRS4, Cagliari, 1991–1994), Laboratoire METECC, University L. Pasteur, Strasbourg (1992–2000). Alexander von Humboldt Award (2001).

IBM Fellow (1969). Member of the Accademia degli Agiati (1972). President of International Society of Quantum Biology (1981). Distinguished Research Professor, Rennselear Polytechnic Institute, Troy, New York (1984). Gold medals : TERESIANA (University of Pavia, 1984). Fellow of the American Physical Society (1985); IBM Academy of Technology (1989), WATOC DIRAC medal (1987), Founder and President of the “Club Europeén MOTECC”. Doctor Honoris causae, University of N.D.P, Namur (Belgium) (1999).

Author of:

Over 500 scientific papers. Editor of the MOTECC, 1989, 1990, 1991, ESCOM, and METECC, 1994, 1995, and of a number of volumes in quantum chemistry and molecular biology. Author of “Tables of Atomic Functions” IBM J. Res. and Dev. Special Supplement 9, 2, 1965. Author, with C. Roetti, of “Tables of Roothaan–Hartree–Fock Wavefunctions”, Special Issue in “Atomic Data and Nuclear Data Tables”, Academic Press, New York, 1974. Author of “Determination of Liquid Water Structure, Coordination Numbers for Ions and Solvation for Biological Molecules”, in Lecture Notes in Chemistry Vol. 2, Springer-Verlag, New York, (1976). Author of “Computational Aspects for Large Chemical Systems”, Lecture Notes in Chemistry Vol.19, Springer-Verlag, New York, (1980).

Important Contributions:

Pioneered (1961) ab initio quantum chemistry applications to small and large molecular systems, with coding and free distribution of Hartree–Fock atomic and molecular programs. First systematic estimate of correlation energy for atoms and molecules. Pioneering (1963) density functionals methods for atoms and molecules, atomic and molecular relativistic correction, graphics, and since 1972 Monte Carlo and Molecular Dynamics for liquids, biological systems in aqueous solutions with ab initio potentials. Free distribution of Monte Carlo and Molecular Dynamic codes. Pioneering (1983) parallel architecture with design and construction of LCAP1, LCAP2 and LCAP-3090 hardware and relative system software with applications to quantum chemistry, molecular dynamics, and micro-dynamics. With G. Corongiu introduction and tests (2006-present) of the Hartree–Fock–Heitler–London method and the Chemical Orbital model.