Symmetry reduction for molecular dynamics simulation of an imploding gas bubbleBASS, Alexander; PUTTERMAN, Seth; MERRIMAN, Barry et al.Journal of computational physics (Print). 2008, Vol 227, Num 3, pp 2118-2129, issn 0021-9991, 12 p.Article

Two-temperature relaxation and melting after absorption of femtosecond laser pulseINOGAMOV, N. A; ZHAKHOVSKII, V. V; ASHITKOV, S. I et al.Applied surface science. 2009, Vol 255, Num 24, pp 9712-9716, issn 0169-4332, 5 p.Conference Paper

An evaluation of explicit time integration schemes for use with the generalized interpolation material point methodWALLSTEDT, P. C; GUILKEY, J. E.Journal of computational physics (Print). 2008, Vol 227, Num 22, pp 9628-9642, issn 0021-9991, 15 p.Article

Influence of poly acrylic acid on the dispersion of calcite nano-particlesLIU, Q; WANG, Q; XIANG, L et al.Applied surface science. 2008, Vol 254, Num 21, pp 7104-7108, issn 0169-4332, 5 p.Article

Static and dynamics mapping of energy landscape in potassium-silicate glass structureGEDEON, Ondrej; MACHACEK, Jan; LISKA, Marek et al.Journal of non-crystalline solids. 2005, Vol 351, Num 12-13, pp 1133-1138, issn 0022-3093, 6 p.Conference Paper

Effect of excluded volume on 2D discrete stochastic chemical kineticsLAMPOUDI, Sotiria; GILLESPIE, Dan T; PETZOLD, Linda R et al.Journal of computational physics (Print). 2009, Vol 228, Num 10, pp 3656-3668, issn 0021-9991, 13 p.Article

Complex absorbing potentialsMUGA, J. G; PALAO, J. P; NAVARRO, B et al.Physics reports. 2004, Vol 395, Num 6, pp 357-426, issn 0370-1573, 70 p.Article

Molecular dynamics simulation of femtosecond ablation and spallation with different interatomic potentialsZHAKHOVSKII, V. V; INOGAMOV, N. A; PETROV, Yu. V et al.Applied surface science. 2009, Vol 255, Num 24, pp 9592-9596, issn 0169-4332, 5 p.Conference Paper

Dependence of the grain boundary energy on the alloy composition in the bcc iron-chromium alloy : A molecular dynamics studySHIBUTA, Yasushi; TAKAMOTO, Shinya; SUZUKI, Toshio et al.Computational materials science. 2009, Vol 44, Num 4, pp 1025-1029, issn 0927-0256, 5 p.Article

Modeling of dislocation patterns of small- and high-angle grain boundaries in aluminumZAHN, Dirk; TLATLIK, Harald; RAABE, Dierk et al.Computational materials science. 2009, Vol 46, Num 2, pp 293-296, issn 0927-0256, 4 p.Article

Thermal conductivity of amorphous and crystalline thin films by molecular dynamics simulationZHENGXING HUANG; ZHENAN TANG; JUN YU et al.Physica. B, Condensed matter. 2009, Vol 404, Num 12-13, pp 1790-1793, issn 0921-4526, 4 p.Article

Defect production and formation of helium-vacancy clusters due to cascades in α-ironYANG, L; ZU, X. T; XIAO, H. Y et al.Physica. B, Condensed matter. 2007, Vol 391, Num 1, pp 179-185, issn 0921-4526, 7 p.Article

Development of tight-binding, chemical-reaction-dynamics simulator for combinatorial computational chemistryKUBO, Momoji; ANDO, Minako; SAKAHARA, Satoshi et al.Applied surface science. 2004, Vol 223, Num 1-3, pp 188-195, issn 0169-4332, 8 p.Conference Paper

Using piecewise polynomials for faster potential function evaluationGONNET, Pedro.Journal of computational physics (Print). 2010, Vol 229, Num 2, pp 313-324, issn 0021-9991, 12 p.Article

Molecular dynamics simulation of optimized shearing routes in single- and polycrystalline aluminumZAHN, Dirk.Computational materials science. 2009, Vol 45, Num 4, pp 845-848, issn 0927-0256, 4 p.Article

GSHMC : An efficient method for molecular simulationAKHMATSKAYA, Elena; REICH, Sebastian.Journal of computational physics (Print). 2008, Vol 227, Num 10, pp 4934-4954, issn 0021-9991, 21 p.Article

Molecular dynamics simulation on the buckling behavior of GaN nanowires under uniaxial compressionZHIGUO WANG; XIAOTAO ZU; LI YANG et al.Physica. E, low-dimentional systems and nanostructures. 2008, Vol 40, Num 3, pp 561-566, issn 1386-9477, 6 p.Article

Reducing round-off errors in rigid body dynamicsVILMART, Gilles.Journal of computational physics (Print). 2008, Vol 227, Num 15, pp 7083-7088, issn 0021-9991, 6 p.Article

Auxeticity of cubic materials : The role of repulsive core interactionBRANKA, A. C; WOJCIECHOWSKI, K. W.Journal of non-crystalline solids. 2008, Vol 354, Num 35-39, pp 4143-4145, issn 0022-3093, 3 p.Conference Paper

A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactionsNAKANO, Aiichiro; KALIA, Rajiv K; NOMURA, Ken-Ichi et al.Computational materials science. 2007, Vol 38, Num 4, pp 642-652, issn 0927-0256, 11 p.Article

Local stress calculation in simulations of multicomponent systemsBRANICIO, Paulo S; SROLOVITZ, David J.Journal of computational physics (Print). 2009, Vol 228, Num 22, pp 8467-8479, issn 0021-9991, 13 p.Article

Connectivity of Q-species in binary sodium-silicate glassesGEDEON, Ondrej; LISKA, Marek; MACHACEK, Jan et al.Journal of non-crystalline solids. 2008, Vol 354, Num 12-13, pp 1133-1136, issn 0022-3093, 4 p.Conference Paper

Degradation of a nano-cutting tool : An MD simulationDZIEDZIC, Jacek; RYCHCIK-LEYK, Monika; RYBICKI, Jarosław et al.Journal of non-crystalline solids. 2008, Vol 354, Num 35-39, pp 4309-4315, issn 0022-3093, 7 p.Conference Paper

Free-energy effects in single-molecule polymer crystalsLARINI, L; LEPORINI, D.Journal of non-crystalline solids. 2006, Vol 352, Num 42-49, pp 5021-5024, issn 0022-3093, 4 p.Conference Paper

Atomic-scale simulations of the interaction between a moving dislocation and a bcc/fcc phase boundaryLASKO, G; SARAEV, D; SCHMAUDER, S et al.Computational materials science. 2005, Vol 32, Num 3-4, pp 418-425, issn 0927-0256, 8 p.Conference Paper