Author of the publication

Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory.

, , , and . Comput. Phys. Commun., 167 (3): 151-164 (2005)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Info-Bio-Nano Interface: High-Performance Computing & Visualization., , and . HiPC, volume 2552 of Lecture Notes in Computer Science, page 3-8. Springer, (2002)Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters., , , , , , , and . J. Supercomput., 57 (1): 20-33 (2011)Multiresolution load balancing in curved space: the wavelet representation.. Concurr. Pract. Exp., 11 (7): 343-353 (1999)Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean., , , and . J. Comput. Chem., 40 (2): 349-359 (2019)Parallel History Matching and Associated Forecast at the Center for Interactive Smart Oilfield Technologies., , , , and . PDPTA, page 369-372. CSREA Press, (2005)A high-throughput multiobjective genetic-algorithm workflow for in situ training of reactive molecular-dynamics force fields., , , , , and . SpringSim (HPS), page 2. ACM, (2016)A Rigid-Body-Based Multiple Time Scale Molecular Dynamics Simulation of Nanophase Materials.. Int. J. High Perform. Comput. Appl., 13 (2): 154-162 (1999)VLA-SMILES: Variable-Length-Array SMILES Descriptors in Neural Network-Based QSAR Modeling., and . Mach. Learn. Knowl. Extr., 4 (3): 715-737 (2022)Neural Network Molecular Dynamics at Scale., , , , , , , and . IPDPS Workshops, page 991-994. IEEE, (2020)Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications., , , , , and . IPDPS Workshops, page 1326-1335. IEEE, (2013)