open source lammps package (Molecular Dynamics Inc)

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Molecular Dynamics Inc open source lammps package
Open Source Lammps Package, 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/materials+modelling+program+lammps/lammps/pmc13013725-243-7-0
Average 86 stars, based on 1 article reviews

open source lammps package - by Bioz Stars, 2026-10

86/100 stars

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Sampling:

Article Title: Thermal conductivity at solid/fluid interfaces: from adsorption to phonon scattering through the rattle effect.
Article Snippet: .. All simulations are performed with LAMMPS which combines Monte Carlo (MC) and Molecular Dynamics (MD) steps, therefore sampling the phase space in the grand canonical ensemble.36 This hybrid scheme ensures that the system evolves through classical MD at fixed temperature, while Monte Carlo insertion and deletion moves of fluid molecules are attempted at regular intervals to enforce the matching with the prescribed chemical potential. ..

other:

Article Title: De novo design of peptides localizing at the interface of biomolecular condensates.
Article Snippet: In the future, the442 approach could also be expanded to more complex condensate compositions, also involving443 globular domains and client molecules, more closely mimicking the environment of cellular444 biomolecular condensates.445 18 AR TI CL E IN P RE SS Methods446 Molecular simulations447 Generally, molecular simulations were carried out using the Mpipi force field39 in an NVT448 ensemble applying a Langevin thermostat81 at 300 K with a relaxation time of 100 ps.449 Simulations were performed using the LAMMPS Molecular Dynamics package (version 2nd450 of August 2023)82 and the adaptive biasing force method was implemented using the Colvars451 module.83452 Interface partitioning453 The condensate dense phase was modeled using 16 protein copies within a periodic box, with454 dimensions 71x71x343 Å3 (hnRNPA1-LCD), 76x76x450 Å3 (LAF-1-RGG) and 88x88x510 Å3455 (DDX4N), originating from a 2x2x4 starting configuration with density 0.5 g/cm3.

Article Title: Shapes of condensate droplets containing filaments
Article Snippet: To investigate the physical mechanisms of mutual deformations between biomolecular condensates and contained cytoskeletal filaments at their native length and volume scale, we perform coarse-grained molecular dynamics simulations using LAMMPS [ – ] that resemble biomolecular condensates interacting with F-actin.

Irradiation:

Article Title: Bridged h-BN Nanosheets Coatings: Simultaneous Shielding Atomic-Oxygen Irradiation and Achieving Superior Friction Performance.
Article Snippet: .. .8 Molecular Dynamics Simulations he role of h-BN in the irradiation response is further investiated through molecular dynamics simulations performed using he LAMMPS package [ 52 ]. ..

Software:

Article Title: Triggering dynamically disordered lithium sublattice in superionic conductors.
Article Snippet: .. Code Availability The machine learning molecular dynamics simulations were performed using open-source software packages, including LAMMPS, MLIP, Pymatgen and MAML, available at https://www.lammps.org, https://instadeepai.github.io/mlip/ http://pymatgen.org and https://github.com/materialyzeai/maml. ..

Review