Journal of Chemical Information and Modeling· 2023Q1
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
- 51citations
- Q1SCImago
- 2023year
Short summary
Quantum mechanics/molecular mechanics (QM/MM) simulations now achieve similar performance on NVIDIA V100 and AMD MI100 GPUs for both standalone HF/DFT and QM/MM molecular dynamics using the QUICK/AMBER software.
AI-generated from the title and abstract; the full text is not read.
TakeawaysIn the app
Key pointsIn the app
Ask the paperIn the app
The rest is in the Pofolia app
Takeaways, key points and questions to the paper; new summaries every day for your field. Free.
Sign in on the web to openField: Computer Networks and Communications
Computer Networks and CommunicationsComputer Science