PDF] Strong scaling of general-purpose molecular dynamics simulations on GPUs | Semantic Scholar
The number of threads (processors) used in the computation of virial... | Download Scientific Diagram
The ratio of GPU-to-CPU performance for the computation of virial... | Download Scientific Diagram
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS: The Journal of Chemical Physics: Vol 153, No 13
Lennard-Jones Potentials for the Interaction of CO2 with Five-Membered Aromatic Heterocycles | The Journal of Physical Chemistry A
Lennard-Jones Potentials for the Interaction of CO2 with Five-Membered Aromatic Heterocycles | The Journal of Physical Chemistry A
General-purpose molecular dynamics simulations on GPU-based clusters – arXiv Vanity
ANN] CellListMap.jl: short-ranged particle pairwise computations (lennard- jones, gravitational, etc) - Package announcements - Julia Programming Language
Update 2.70 to “GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids” - SoftwareX
Kokkos and SNAP work in support of EXAALT and LAMMPS
Experience with GPU acceleration for large-scale Molecular Dynamics simulations using LAMMPS
Using the van der Waals diameter in Lennard-Jones potential calculations? : r/AskPhysics
Molecules | Free Full-Text | Isomorph Invariance of Higher-Order Structural Measures in Four Lennard–Jones Systems
pair_style lj/sdk/coul/long/gpu command
PDF) Comparison between parallel and distributed molecular dynamics simulations of Lennard-Jones systems | Dorian Gorgan - Academia.edu
exercises:2017_ethz_mmm:pythonmd [CP2K Open Source Molecular Dynamics ]
A GPU-Accelerated Machine Learning Framework for Molecular Simulation: HOOMD-blue with TensorFlow | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
Generic LJ Simulator in OpenMM - Scratchings on biomolecular simulation and theory
OpenFPM_pdata: Vector 3 molecular dynamic on GPU
A GPU Accelerated Lennard-Jones System for Immersive Molecular Dynamics Simulations in Virtual Reality | SpringerLink