ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion | The Journal of Physical Chemistry A
Reactive force-field molecular dynamics simulation for the surface reaction of SiHx (x = 2–4) species on Si(1 0 0)-(2 × 1):H surfaces in chemical vapor deposition processes - 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 ReaxFF reactive force field for titanium dioxide/water systems. | Semantic Scholar
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields | Journal of Chemical Theory and Computation
Reactive Force Field (ReaxFF) : Its concepts and application
Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field
ReaxFF webinar by Adri van Duin: 26 April 2022, 3pm CEST - Software for Chemistry & Materials Software for Chemistry & Materials
Molecular dynamics simulations of stability of metal–organic frameworks against H2O using the ReaxFF reactive force field - Chemical Communications (RSC Publishing)
INDEEDopt: a deep learning-based ReaxFF parameterization framework | npj Computational Materials
ReaxFF-MPNN machine learning potential: a combination of reactive force field and message passing neural networks - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP01656C
Simulation Protocol for Prediction of a Solid-Elecrolyte Interphase on the Silicon-Based Anodes of a Lithium-Ion Battery: ReaxFF Reactive Force Field
ReaxFF: reactive MD with graphical interface & analysis tools Software for Chemistry & Materials
Training a reactive (ReaxFF) force field for the simulation of zeolite nucleation in a hydrated silicate ionic liquid | Center for Molecular Modeling
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
![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
Fitting ReaxFF force field parameters with CMA-ES - YouTube
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
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt | Nature Communications
The ReaxFF reactive force-field: development, applications and future directions | npj Computational Materials
A transferable active-learning strategy for reactive molecular force fields - Chemical Science (RSC Publishing)
Neural network reactive force field for C, H, N, and O systems | npj Computational Materials
