Zobrazeno 1 - 10
of 19 792
pro vyhledávání: '"stocks"'
Autor:
Stocks, Ryan, Vallejo, Jorge L. Galvez, Yu, Fiona C. Y., Snowdon, Calum, Palethorpe, Elise, Kurzak, Jakub, Bykov, Dmytro, Barca, Giuseppe M. J.
The accurate simulation of complex biochemical phenomena has historically been hampered by the computational requirements of high-fidelity molecular-modeling techniques. Quantum mechanical methods, such as ab initio wave-function (WF) theory, deliver
Externí odkaz:
http://arxiv.org/abs/2410.21888
Autor:
Stocks, Mark
Current methods for data access control, especially regarding AI and AI automation, face unique challenges in ensuring appropriate data access. We introduce Integer-Based Access Control (IBAC), addressing the limitations of Role-Based Access Control
Externí odkaz:
http://arxiv.org/abs/2410.19021
This Article presents two optimized multi-GPU algorithms for Fock matrix construction, building on the work of Ufimtsev et al. and Barca et al. The novel algorithms, opt-UM and opt-Brc, introduce significant enhancements, including improved integral
Externí odkaz:
http://arxiv.org/abs/2407.21445
This article presents an optimized algorithm and implementation for calculating resolution-of-the-identity Hartree-Fock (RI-HF) energies and analytic gradients using multiple Graphics Processing Units (GPUs). The algorithm is especially designed for
Externí odkaz:
http://arxiv.org/abs/2407.19614
Autor:
Stocks J, Tang NKY, Walsh DA, Warner SC, Harvey HL, Jenkins W, Abhishek A, Doherty M, Valdes AM
Publikováno v:
Journal of Pain Research, Vol Volume 11, Pp 1087-1093 (2018)
Joanne Stocks,1–3 Nicole KY Tang,4 David A Walsh,1–3 Sophie C Warner,1 Hollie L Harvey,1 Wendy Jenkins,1 Abhishek Abhishek,1–3 Michael Doherty,1–3 Ana M Valdes1–3 1Academic Rheumatology, University of Nottingham, Nottingham, UK; 2Arthritis
Externí odkaz:
https://doaj.org/article/6bbe5d1e487a4c428252fc57401c2b12
