AFIR-web Artificial Force Induced Reaction
NEWS
- Feb 21, 2024 Renewal of the AFIR-web Support Site
- May 23, 2023 About the latest GRRM23, click here!
- May 23, 2023 GRRM23 program & license will be released soon!
- Feb 17, 2022 GRRM20 user registration information is available.
- Jun 18, 2021 GRRM20 program & license are released.
About AFIR
This is a calculation program for the GRRM program equipped with “Popular force induced response”.
AFIR 3 features
- Feature 1
Fully automated reaction path exploration - Feature 2
Easy integration of kinetic analysis and simulation - Feature 3
Various options to narrow the search space
Manual / Tutorial
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GRRM17Users Manual
All three AFIR algorithms, Multi-Component (MC-AFIR), Double-Sphere (DS-AFIR), and Single-Component (SC-AFIR) are available in this release.
All three AFIR algorithms, Multi-Component (MC-AFIR), Double-Sphere (DS-AFIR), and Single-Component (SC-AFIR) are available in this release.
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GRRM20Users Manual
Rate Constant Matrix Construction (RCMC) for kinetic analysis and (forward) kinetic simulation and large-scale parallelization of SC-AFIR are available in this release.
Rate Constant Matrix Construction (RCMC) for kinetic analysis and (forward) kinetic simulation and large-scale parallelization of SC-AFIR are available in this release.
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GRRM23Users Manual
Backward on-the-fly kinetic simulation combining RCMC with SC-AFIR and custom control of path selection in SC-AFIR are available in this release.
Backward on-the-fly kinetic simulation combining RCMC with SC-AFIR and custom control of path selection in SC-AFIR are available in this release.
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Tutorial
We have prepared tutorials to help you master AFIR.
Latest Article
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FAQ
We have posted frequently asked questions from our customers, such as calculation methods.
Latest Article