ct.\*:("Molecular dynamics and particle methods")
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Expressions for the second-order mixed partial derivatives of Slater-Koster matrix elements at spherical coordinate singularitiesMEISTER, Matthias.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 16, pp 165108.1-165108.6, issn 1098-0121Article
Dynamics of a rod in a random static environment: non-Gaussian behaviour on large length scalesMORENO, A. J; KOB, W.Philosophical magazine (2003. Print). 2004, Vol 84, Num 13-16, pp 1383-1388, issn 1478-6435, 6 p.Conference Paper
Antisymmetrized Molecular Dynamics simulations for conduction mechanisms in CdSe thin filmsCALIAN, V; STOENESCU, G.SPIE proceedings series. 2000, pp 460-465, isbn 0-8194-3705-0Conference Paper
Microscopic discussions of macroscopic balance equations for solids based on atomic configurationsNAKANE, M; SHIZAWA, K; TAKAHASHI, K et al.Archive of applied mechanics (1991). 2000, Vol 70, Num 8-9, pp 533-549, issn 0939-1533Article
Emergent computation by catalytic reactionsBANZHAF, W; DITTRICH, P; RAUHE, H et al.Nanotechnology (Bristol. Print). 1996, Vol 7, Num 4, pp 307-314, issn 0957-4484Article
Performance analysis of a parallel molecular dynamics programSINHA, A. B; SCHULTEN, K; HELLER, H et al.Computer physics communications. 1994, Vol 78, Num 3, pp 265-278, issn 0010-4655Article
Cell dynamics based on the metric tensor as extended variable for isothermal-isobaric molecular dynamics simulationsHERNANDEZ, E.Computational materials science. 2003, Vol 27, Num 1-2, pp 212-218, issn 0927-0256, 7 p.Conference Paper
The method of fundamental solutions and compactly supported radial basis functions : a meshless approach to 3D problemsCHEN, C. S; MARCOZZI, M. D; CHOI, S et al.International series on advances in boundary elements. 1999, pp 561-570, issn 1460-1419, isbn 1-85312-698-5Conference Paper
A parallel and modular deformable cell Car-Parrinello codeCAVAZZONI, C; CHIAROTTI, G. L.Computer physics communications. 1999, Vol 123, Num 1-3, pp 56-76, issn 0010-4655Article
Digital physics simulations of reactive flow in a catalytic converterBERNASCHI, M; SUCCI, S; BELLA, G et al.Journal of scientific computing. 1999, Vol 14, Num 3, pp 211-222, issn 0885-7474Article
Comments on : P3M, FMM, and the Ewald method for large periodic Coulombic systemsPOLLOCK, E. L; GLOSLI, J.Computer physics communications. 1996, Vol 95, Num 2-3, pp 93-110, issn 0010-4655Article
Massively parallel algorithms for computational nanoelectronics based on quantum molecular dynamicsNAKANO, A; VASHISHTA, P; KALIA, R. K et al.Computer physics communications. 1994, Vol 83, Num 2-3, pp 181-196, issn 0010-4655Article
Molecular dynamics, smoothed-particle applied mechanics, and irreversibilityHOOVER, W. G; PIERCE, T. G; HOOVER, C. G et al.Computers & mathematics with applications (1987). 1994, Vol 28, Num 10-12, pp 155-174, issn 0898-1221Article
Nuclear collective motion within the O(N-1) invariant dynamicsCERKASKI, M; MIKHAILOV, I. N.Annals of physics (Print). 1993, Vol 223, Num 2, pp 151-179, issn 0003-4916Article
Parallel molecular dynamics using OPENMP on a shared memory machineCOUTURIER, R; CHIPOT, C.Computer physics communications. 2000, Vol 124, Num 1, pp 49-59, issn 0010-4655Article
Point-centered domain decomposition for parallel molecular dynamics simulationKORADI, R; BILLETER, M; GÜNTERT, P et al.Computer physics communications. 2000, Vol 124, Num 2-3, pp 139-147, issn 0010-4655Article
From silicon to RNA: The coming of age of AB initio molecular dynamicsPARRINELLO, M.Solid state communications. 1997, Vol 102, Num 2-3, pp 107-120, issn 0038-1098Article
A computational study of the adsorption of the isomers of butanol on silicalite and H-ZSM-5SHUBIN, A. A; CATLOW, C. R. A; THOMAS, J. M et al.Proceedings - Royal Society. Mathematical and physical sciences. 1994, Vol 446, Num 1928, pp 411-427, issn 0962-8444Article
A parallel implementation of the Car-Parrinello method by orbital decompositionWIGGS, J; JONSSON, H.Computer physics communications. 1994, Vol 81, Num 1-2, pp 1-18, issn 0010-4655Article
Efficient dipole interation in polarizable charged systems using the cell multipole method and application to polarizable waterKUTTEH, R; NICHOLAS, J. B.Computer physics communications. 1995, Vol 86, Num 3, pp 227-235, issn 0010-4655Article
An improved symplectic integrator for Nosé-Poincaré thermostatNOSE, Shuichi.Journal of the Physical Society of Japan. 2001, Vol 70, Num 1, pp 75-77, issn 0031-9015Article
Dawn of molecular dynamicsDOYAMA, M.Computational materials science. 1999, Vol 14, Num 1-4, pp 1-3, issn 0927-0256Conference Paper
Ewald summation techniques in perspective : a surveyTOUKMAJI, A. Y; BOARD, J. A.Computer physics communications. 1996, Vol 95, Num 2-3, pp 73-92, issn 0010-4655Article
Comparison of two methods for solving linear equations occurring in molecular dynamics applicationsOVESEN, J. H; PETERSEN, H. G; PERRAM, J. W et al.Computer physics communications. 1996, Vol 94, Num 1, pp 1-18, issn 0010-4655Article
O(N) tight-binding molecular dynamics on massively parallel computers : an orbital decomposition approachCANNING, A; GALLI, G; MAURI, F et al.Computer physics communications. 1996, Vol 94, Num 2-3, pp 89-102, issn 0010-4655Article