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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

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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

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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

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A 3D hierarchical tree code for dense plasma simulationPFALZNER, S; GIBBON, P.Computer physics communications. 1994, Vol 79, Num 1, pp 24-38, issn 0010-4655Article

A fast grid search algorithm for molecular dynamics simulations with short-range interactionsEVERAERS, R; KREMER, K.Computer physics communications. 1994, Vol 81, Num 1-2, pp 19-55, issn 0010-4655Article

Multiresolution molecular dynamics algorithm for realistic materials modeling on parallel computersNAKANO, A; KALIA, R. K; VASHISHTA, P et al.Computer physics communications. 1994, Vol 83, Num 2-3, pp 197-214, issn 0010-4655Article

Answering von Neumann's conjecture on convergence of averages and analyzing the von Neumann-Richtmyer scheme via a material averaging methodHICKS, D. L; KUTTLER, K. L; LIEBROCK, L. M et al.Applied mathematics and computation. 1993, Vol 55, Num 2-3, pp 265-295, issn 0096-3003Article

A hybrid decomposition parallel implementation of the Car-Parrinello methodWIGGS, J; JONSSON, H.Computer physics communications. 1995, Vol 87, Num 3, pp 319-340, issn 0010-4655Article

A numerical analysis of molecular motion in a spherically symmetric gravitational fieldSHCHEPROV, A. V.Computational mathematics and mathematical physics. 1995, Vol 35, Num 12, pp 1505-1515, issn 0965-5425Article

The calculation of the potential of mean force using computer simulationsROUX, B.Computer physics communications. 1995, Vol 91, Num 1-3, pp 275-282, issn 0010-4655Article

Conservative difference equationsGREENSPAN, D.Computers & mathematics with applications (1987). 1994, Vol 28, Num 1-3, pp 109-114, issn 0898-1221Article

Efficient parallel implementation of molecular dynamics on a toroidal network. I: Parallelizing strategyESSELINK, K; SMIT, B; HILBERS, P. A. J et al.Journal of computational physics (Print). 1993, Vol 106, Num 1, pp 101-107, issn 0021-9991Article

Molecular dynamics simulation of processing using AFM pin toolYAN, Y. D; SUN, T; DONG, S et al.Applied surface science. 2006, Vol 252, Num 20, pp 7523-7531, issn 0169-4332, 9 p.Article

Efficient parallel algorithms and software for compressed octrees with applications to hierarchical methodsHARIHARAN, Bhanu; ALURU, Srinivas.Lecture notes in computer science. 2001, pp 125-136, issn 0302-9743, isbn 3-540-43009-1Conference Paper

A portable parallel particle programWARREN, M. S; SALMON, J. K.Computer physics communications. 1995, Vol 87, Num 1-2, pp 266-290, issn 0010-4655Article

Skeleton PIC codes for parallel computersDECYK, V. K.Computer physics communications. 1995, Vol 87, Num 1-2, pp 87-94, issn 0010-4655Article