ReaxFF
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Cited in
(39)- RACCOON
- PhysNet
- TensorMol
- GULP
- Anisotropic hyperelastic modeling for face-centered cubic and diamond cubic structures
- LAMMPS
- PUMMA
- Continuum stress intensity factors from atomistic fracture simulations
- 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
- Kinetic theory of chemical reactions on crystal surfaces
- LOWESS
- DL_POLY
- Two improved electronegativity equalization methods for charge distribution in large scale non-uniform system
- Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure
- sPuReMD
- A variational phase-field model for ductile fracture with coalescence dissipation
- OVITO
- A Riemannian stochastic representation for quantifying model uncertainties in molecular dynamics simulations
- Proper orthogonal descriptors for efficient and accurate interatomic potentials
- PuReMD
- DeePMD-kit
- i-pi
- 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
- Interactive physically-based structural modeling of hydrocarbon systems
- Mechanical properties of graphene papers
- EZFF
- The General Utility Lattice Program (<scp>GULP</scp>)
- Deep Potential: A General Representation of a Many-Body Potential Energy Surface
- Optimizing atomic structures through geno-mathematical programming
- DP-GEN
- Fast solvers for charge distribution models on shared memory platforms
- Multi-scale simulations of in-depth pyrolysis of charring ablative thermal protection material
- Molecular modeling by machine learning
- TweTriS
- An atomistically-informed multiplicative hyper-elasto-plasticity-damage model for high-pressure induced densification of silica glass
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