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