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lammps molecular dynamics simulator (Molecular Dynamics Inc)

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Molecular Dynamics Inc lammps molecular dynamics simulator
Lammps Molecular Dynamics Simulator, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/lammps+molecular+dynamics+simulator/dynamics+lammps+molecular+simulator/pm42309004-414-7-8
Average 86 stars, based on 1 article reviews

lammps molecular dynamics simulator - by Bioz Stars, 2026-09

86/100 stars

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Article Title: Advancing the CL&Pol Polarizable Force Field for Accurate Modeling of Mg 2+ , Ca 2+ , and Zn 2+ Electrolytes.
Article Snippet: Divalent cations such as Mg2+, Ca2+, or Zn2+ are promising candidates for powerful and affordable post-Li batteries due to their high natural abundance and an expected two-electron transfer per charge carrier.. But an accurate representation of divalent cations in electrolytes by molecular dynamics simulations remains challenging due to the effects of their high charge density.. For ionic systems such as the ones studied here, a molecular interaction model with explicit polarization terms, using Drude induced dipoles, largely improves the representation of equilibrium and transport properties when compared to fixed-charge models.

Article Title: Atomistic Observation of Defect Generation and Microstructural Evolution in Polycrystalline FeCrAl Alloys Under Different Irradiation Conditions.
Article Snippet: All MD simulations were performed using the LAMMPS Molecular Dynamics Simulator [37].

Article Title: In vivo transformations of positively charged nanoparticles alter the formation and function of RuBisCO photosynthetic protein corona.
Article Snippet: The impact of nanomaterial transformations on photosynthetic proteins remains largely unknown.. We report positively charged iron oxide (Fe3O4) nanoparticles experience transformations in Arabidopsis thaliana plants in vivo that alter the formation and function of RuBisCO protein corona, a key carbon fixation enzyme.. In vitro, negatively charged Fe3O4 nanoparticles impact the RuBisCO function but not their positively charged counterparts.

Article Title: Heat transfer in metallic nanometre-sized gaps
Article Snippet: The molecular dynamics simulations were carried out with the LAMMPS Molecular Dynamics Simulator (available at https://www.lammps.org/ ), and the calculations of the near-field radiative heat transfer were performed with the SCUFF-EM code (available at https://github.com/HomerReid/scuff-em ).

Article Title: Defect Engineering in Wüstite: Unlocking Control Over Iron Morphologies in Gas-Solid Reduction.
Article Snippet: [49] LAMMPS Molecular Dynamics Simulator.

Irradiation:

Article Title: Infrared Irradiation of H 2 O:CO 2 Ice: A Combined Experimental and Computational Study of the Dissipation of CO 2 Vibrational Excitations
Article Snippet: .. To model the irradiation of the H 2 O:CO 2 1:4 ices, classical molecular dynamics (MD) simulations are performed using the LAMMPS Molecular Dynamics Simulator, version 28 March 2023. ..

Modification:

Article Title: A molecular dynamics study of the sputtering processes of beryllium species by hydrogenic plasma
Article Snippet: .. Interactions between all beryllium and hydrogen atoms are governed by an existing analytical bond-order potential (ABOP) modified to suit the 3-body Tersoff formalism implemented by the LAMMPS Molecular Dynamics Simulator . ..