A transferable active-learning strategy for reactive molecular force fields - Chemical Science (RSC Publishing)
Fitting ReaxFF force field parameters with CMA-ES - YouTube
Molecular dynamics simulations of stability of metal–organic frameworks against H2O using the ReaxFF reactive force field - Chemical Communications (RSC Publishing)
Molecular dynamics simulations of the interactions between TiO2 nanoparticles and water with Na+ and Cl−, methanol, and formic acid using a reactive force field | Journal of Materials Research | Cambridge Core
Development and application of the ReaxFF reactive ... - Lammps
Reactive Force Field for Simulations of the Pyrolysis of Polysiloxanes into Silicon Oxycarbide Ceramics | The Journal of Physical Chemistry C
![PDF] JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/f5346f68c2443a33ec4d203ec8948db20ff8cbbc/5-Figure1-1.png "PDF] JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields | Semantic Scholar")
PDF] JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields | Semantic Scholar
Reactive force fields made simple - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C5CP02580J
Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach - Nakata - 2019 - Journal of Computational Chemistry - Wiley Online Library
The ReaxFF reactive force-field: development, applications and future directions | npj Computational Materials
Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field
Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion | The Journal of Physical Chemistry C
ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion | The Journal of Physical Chemistry A
Multiparameter and Parallel Optimization of ReaxFF Reactive Force Field for Modeling the Atomic Layer Deposition of Copper,The Journal of Physical Chemistry C - X-MOL
Reactive Force Field (ReaxFF) : Its concepts and application
Reactive force fields made simple - Physical Chemistry Chemical Physics (RSC Publishing)
Reactive force field molecular dynamics (ReaxFF MD) simulation of coal oxy-fuel combustion - ScienceDirect
Development of a Reactive Force Field for Simulations on the Catalytic Conversion of C/H/O Molecules on Cu-Metal and Cu-Oxide Surfaces and Application to Cu/CuO-Based Chemical Looping | The Journal of Physical Chemistry
Development of a reactive force field for CaCl2·nH2O, and the application to thermochemical energy storage - ScienceDirect
Training a reactive (ReaxFF) force field for the simulation of zeolite nucleation in a hydrated silicate ionic liquid | Center for Molecular Modeling
The ReaxFF reactive force-field: development, applications and future directions | npj Computational Materials
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields | Journal of Chemical Theory and Computation
The ReaxFF reactive force-field: development, applications and future directions | npj Computational Materials
Development of the ReaxFF reactive force field for aluminum–molybdenum alloy | Journal of Materials Research | Cambridge Core
