Catálogo Bibliográfico
LDR | ·····cam##22·····#a#4500 |
001 | 002087 |
005 | 20110121125748.0 |
008 | 910816s1991####ne#a##########101#0#eng## |
245 | 10 | $a Computer simulation in materials science : $b interatomic potentials, simulation techniques, and applications / $c edited by Madeleine Meyer and Vassilis Pontikis. |
260 | ## | $a Dordrecht : $b Kluwer Academic Publishers, $c c1991. |
300 | ## | $a ix, 548 p. : $b il. ; $c 25 cm. |
505 | 0# | $a 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. |
505 | 0# | $a 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. |
505 | 0# | $a 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. |
490 | 1# | $a NATO ASI series. Series E, Applied sciences ; $v no. 205. |
504 | ## | $a Incluye referencias bibliográficas. |
020 | ## | $a 0792314557 (alk. paper) |
111 | 2# | $a NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications $d (1991 : $c Aussois, France) |
710 | 2# | $a North Atlantic Treaty Organization. $b Scientific Affairs Division. |
700 | 1# | $a Meyer, Madeleine. $4 edt |
700 | 1# | $a Pontikis, Vassilis. $4 edt |
650 | #0 | $a Materials science $x Computer simulation $v Congresses. |
650 | #0 | $a Molecular dynamics $x Computer simulation $v Congresses. |
650 | #7 | $a Método dinámico molecular $v Congresos. $2 inist |
650 | #7 | $a Materiales $v Congresos. $2 inist |
650 | #7 | $a Simulación computerizada $v Congresos. $2 inist |
040 | ## | $a DLC $c DLC $d PMC $d UKM $d OCL $b spa $d arbccab |
500 | ## | $a "Proceedings of the NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications, Aussois, France, 25 March-5 April 1991"--Reverso de port. |
500 | ## | $a "Published in cooperation with NATO Scientific Affairs Division. |
500 | ## | $a Incluye índice. |