LAMMPS Molecular Dynamics Simulator

Tech-X Corporation is pleased to provide a LAMMPS cloud container in collaboration with UberCloud. LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics simulation tool that is able to exploit modern parallel computing environments such as the cloud environments provided by Amazon and Microsoft.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS is distributed as an open source code under the terms of the GPL. The current version is available from the main LAMMPS site. LAMMPS is distributed by Sandia National Laboratories, a US Department of Energy laboratory. The main authors of LAMMPS are listed on the LAMMPS authors page along with their contact info and names of other contributors. Funding for LAMMPS development has come primarily from DOE (OASCR, OBER, ASCI, LDRD, Genomes-to-Life) and is acknowledged on the LAMMPS funding page.

LAMMPS Example Applications

Structural Properties of Phospholipid-based Bilayers with Long-Chain Alcohol Molecules in the Gel Phase, R Hartkamp and TC Moore and CR Iacovella and MA Thompson and PA Bulsara and DJ Moore and C McCabe, JOURNAL OF PHYSICAL CHEMISTRY B, 120, 12863-12871 (2016). doi:10.1021/acs.jpcb.6b10192 

Mechanical properties and current-carrying capacity of Al reinforced with graphene/BN nanoribbons: a computational study, DG Kvashnin and M Ghorbani-Asl and DV Shtansky and D Golberg and AV Krasheninnikov and PB Sorokin, NANOSCALE, 8, 20080-20089 (2016). doi:10.1039/c6nr07206b (Abstract.)

Molecular Level Study of Graphene Networks Functionalized with Phenylenediamine Monomers for Supercapacitor Electrodes, B Song and JI Choi and YT Zhu and ZS Geng and L Zhang and ZY Lin and CC Tuan and KS Moon and CP Wong, CHEMISTRY OF MATERIALS, 28, 9110-9121 (2016). doi:10.1021/acs.chemmater.6b04214 (Abstract.)

Co-micellization behavior of triblock copolymers in the presence of hydrophobic drug molecules: A simulation study, A Prhashanna and WK Tan and SA Khan and SB Chen, COLLOIDS AND SURFACES B-BIOINTERFACES, 148, 299-307 (2016). doi:10.1016/j.colsurfb.2016.09.004 (Abstract.)

Ionic Conductivity in Polyelectrolyte Hydrogels, HH Li and A Erbas and J Zwanikken and MO de la Cruz, MACROMOLECULES, 49, 9239-9246 (2016). doi:10.1021/acs.macromol.6b01276 (Abstract.)

Hierarchical Graphene-Based Films with Dynamic Self-Stiffening for Biomimetic Artificial Muscle, ZH Dai and YL Wang and LQ Liu and XL Liu and PH Tan and ZP Xu and J Kuang and Q Liu and J Lou and Z Zhang, ADVANCED FUNCTIONAL MATERIALS, 26, 7003-7010 (2016). doi:10.1002/adfm.201503917 (Abstract.)

Effect of end-tethered polymers on surface adhesion of glassy polymers, SW Sides and GS Grest and MJ Stevens and SJ Plimpton, JOURNAL OF POLYMER SCIENCE PART BPOLYMER PHYSICS, 42, 199-208 (2004). doi:10.1002/polb.10672) (Abstract.)

LAMMPS Molecular Dynamics Simulator Links

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