Michele Parrinello

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Michele Parrinello (born September 7, 1945 in Messina ) is an Italian physicist who deals with physical chemistry and especially computer simulation methods in physics and chemistry.

Parrinello studied physics at the University of Bologna , where he made his diploma (Laurea) in 1968. Later he was professor at the International School for Advanced Study (SISSA) in Trieste and then director at the Max Planck Institute for Solid State Research in Stuttgart , of which he is still an External Scientific Member. Since 2001 he has been Professor of Computational Science at the Faculty of Chemistry and Applied Biosciences at ETH Zurich and at the Faculty of Computer Science at Università della Svizzera italiana . Until 2003 he was director of the Centro Svizzero di Calcolo Scientifico (CSCS) in Manno ( Ticino ).

In 2009 he and Roberto Car received the Dirac Medal (ICTP) for their development of an ab initio simulation method that combines the quantum mechanical density functional theory for calculations of the electronic structure with methods of molecular dynamics to simulate the classical ( Newtonian ) atomic movements. They call their process ab initio molecular dynamics , it is also known as the Car-Parrinello method . The method was developed by both of them in 1985 when both were in Trieste, and found diverse applications in solid-state physics , biochemistry , chemical physics, and materials science .

Parrinello also worked on the simulation of structural phase transitions with methods of molecular dynamics, the theory of ionic liquids, path integral calculations of solutions of molten salts in metals, Ziegler-Natta catalysis , proton transfer in water. Together with Rahman, he developed the Parrinello-Rahman method of molecular dynamics, with which phase transitions in solids can be investigated under pressure.

In 1990 he and Car received the Hewlett Packard Prize from the European Physical Society . In 1995 they both received the Aneesur Rahman Prize of the American Physical Society , of which he is a fellow. In 1995 he became an honorary professor at the University of Stuttgart . In 1994 he received the Boys-Rahman Prize of the Royal Society of Chemistry , in 2001 the Prize for Theoretical Chemistry of the American Chemical Society , in 2005 the Schrödinger Medal and in 2009 together with Car the Sidney Fernbach Award of the IEEE . In 2011 he was awarded the Marcel Benoist Prize . For 2020 he was awarded the Benjamin Franklin Medal of the Franklin Institute . He is a member of the Berlin-Brandenburg Academy of Sciences, the Royal Society , the Accademia dei Lincei , the National Academy of Sciences (2010), the American Academy of Arts and Sciences (2012) and the International Academy of Quantum Molecular Science. Parrinello is a multiple honorary doctor.

Web links

Individual evidence

  1. ^ TD Kühne, M. Krack, FR Mohamed, M. Parrinello: Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics , Physical Review Letters , Volume 98, 2007, p. 066401, doi : 10.1103 / PhysRevLett. 98.066401
  2. ^ R. Car, M. Parrinello: Unified Approach for Molecular Dynamics and Density-Functional Theory , Physical Review Letters , Volume 55, 1985, pp. 2471-2474, abstract
  3. ↑ M. Parrinello, A. Rahman: Crystal Structure and Pair Potentials: A Molecular-Dynamics Study , Physical Review Letters , Volume 45, 1980, pp. 1196–1199, doi : 10.1103 / PhysRevLett.45.1196
  4. ↑ M. Parrinello, A. Rahman: Polymorphic transitions in single crystals: A new molecular dynamics method , Journal of Applied Physics , Volume 52, 1981, pp. 7182-7190, doi : 10.1063 / 1.328693
personal data
SURNAME Parrinello, Michele
BRIEF DESCRIPTION Italian physicist
DATE OF BIRTH September 7, 1945
PLACE OF BIRTH Messina