Method for large timesteps in molecular modeling

Details Method for large timesteps in molecular modeling Method for large timesteps in molecular modeling

G - Physics

06

G

G06G 7/48 (2006.01) G06F 17/50 (2006.01)

Patent

CA 2427857

For the computer modeling of molecules, a model with reduced coordinates is used with sufficiently stable implicit integration methods integrating the model's equations of motion. The timesteps in the integration method can vary in a range over 100 to greatly increase the computer's efficiency and to hasten the computational results. Both static analysis and molecular dynamics simulations are some ready applications.

Pour effectuer la modélisation informatique de molécules, on utilise un modèle à coordonnées réduites avec des procédés d'intégration implicite suffisamment stable qui intègrent les équations de mouvement du modèle. Les intervalles de temps utilisés dans le procédé d'intégration peuvent varier sur une plage supérieure à 100 pour accroître fortement l'efficacité de l'ordinateur et accélérer les résultats informatiques. Des simulations d'analyse statique et de dynamique moléculaire représentent certaines applications directes.

Affiliated with

Also associated with

Rating

Method for large timesteps in molecular modeling does not yet have a rating. At this time, there are no reviews or comments for this patent.

If you have personal experience with Method for large timesteps in molecular modeling, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Method for large timesteps in molecular modeling will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFCA-PAI-O-1617829