Contenido

• An introduction to molecular dynamics, with applications to the glass transition / J.P. Hansen
• Molecular dynamics simulations at constant temperature and pressure / S. Nosé
• Molecular dynamics of polyatomic systems / J.P. Ryckaert
• Monte Carlo : choosing which game to play / J.P. Valleau
• Lecture notes on free-energy calculations / D. Frenkel
• Molecular dynamics simulations of nonequilibrium phenomena and rare dynamical events / G. Ciccotti
• Transport properties computed by linear response through weak coupling to a bath / H.J.C. Berendsen
• Interionic potentials : a user's guide / J.H. Harding
• Potentials for the classical simulation of molecular systems : current and future model intermolecular potentials / S.L. Price.

• The pseudopotential approach to the interatomic interaction problem / L. Dagens
• Tight-binding potentials / F. Ducastelle
• Calculating the properties of materials from scratch / M.J. Gillan
• Ab-initio molecular dynamics : principles and practical implementation / G. Galli and M. Parrinello
• Quantum simulation using path integrals / M. Sprik
• The application of quantum Monte Carlo to problems in electronic structure / D.M. Ceperley
• The determination of the elastic properties of inhomogeneous systems by computer simulation / J.F. Lutsko
• Microscopic modeling of amorphization by solid state reactions : role of chemical disorder and elastic softening in the intermetallic alloy NiZr / C. Massobrio
• Atomic structure and stability of quasicrystals / F. Lanðcon
• Orientational disorder and structural phase transitions in plastic molecular crystals / M. Ferrario.

• Structural organization in self-assembled monolayers / J. Hautman and M.L. Klein
• The design of convergent and transferable ab-initio pseudopotentials / A.M. Rappe and J.D. Joannopoulos
• Effect of specific features of electronic structure on elastic and structural properties of metals and alloys / V.G. Vaks
• Density functional calculations : a database for parameterizing interatomic potentials / R.O. Jones and D. Hohl
• Quantum simulation of metallic microclusters / P. Ballone
• Plasma simulations using the Car-Parrinello method / J. Clérouin, G. Zerah and J.P. Hansen
• Dissipative and fluctuating hydrodynamic interactions between suspended solid particles via lattice-gas cellular automata / A.J.C. Ladd
• Molecular simulations of non-equilibrium large scale phenomena in fluids / M. Mareschal
• Simulation of dislocation microstructures / L.P. Kubin.

Ubicación    

• 539.19:519.6:061.3 N214 1991
  Inv. 16519

Personas, entidades y obras relacionadas

• Meyer, Madeleine. [1]
• Pontikis, Vassilis. [1]
• North Atlantic Treaty Organization. Scientific Affairs Division. [38]
• NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications (1991 : Aussois, France) [1]

Temas

• Materials science—Computer simulation Congresses. [2]
• Molecular dynamics—Computer simulation Congresses. [2]
• Método dinámico molecular Congresos. [1]
• Materiales Congresos. [14]
• Simulación computerizada Congresos. [2]