ReaxFF
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Related Items (23)
The General Utility Lattice Program (<scp>GULP</scp>) ⋮ Development of EEM based silicon-water and silica-water wall potentials for non-reactive molecular dynamics simulations ⋮ PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs ⋮ Compressive deformation of ultralong amyloid fibrils ⋮ A variational phase-field model for ductile fracture with coalescence dissipation ⋮ Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure ⋮ A Riemannian stochastic representation for quantifying model uncertainties in molecular dynamics simulations ⋮ Unnamed Item ⋮ Interactive physically-based structural modeling of hydrocarbon systems ⋮ Proper orthogonal descriptors for efficient and accurate interatomic potentials ⋮ Mechanical properties of graphene papers ⋮ Two improved electronegativity equalization methods for charge distribution in large scale non-uniform system ⋮ Anisotropic hyperelastic modeling for face-centered cubic and diamond cubic structures ⋮ Continuum stress intensity factors from atomistic fracture simulations ⋮ Deep Potential: A General Representation of a Many-Body Potential Energy Surface ⋮ Optimizing Atomic Structures through Geno-Mathematical Programming ⋮ Multi-scale simulations of in-depth pyrolysis of charring ablative thermal protection material ⋮ Coupled thermodynamically consistent thermo-mechanical model of silica glass subjected to hypervelocity impact ⋮ Neural network constitutive model for crystal structures ⋮ Coupled electrochemical-mechanical modeling with strain gradient plasticity for lithium-ion battery electrodes ⋮ Fast Solvers for Charge Distribution Models on Shared Memory Platforms ⋮ Kinetic theory of chemical reactions on crystal surfaces ⋮ An atomistically-informed multiplicative hyper-elasto-plasticity-damage model for high-pressure induced densification of silica glass
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