Art of high performance computing for computational science, vol. 2, the: advanced techniques and examples for materials science
Éditeur :
Springer Verlag, Singapore
ISBN :
9789811398049
Date de publication :
15 oct. 2020
Dimensions :
23,5 x 15,5 cm
Langue :
Anglais
Pays d'origine :
Singapour
Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method.This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan.