ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics

DOI10.1145/1024074.1024075zbMath1068.81641OpenAlexW1979573134WikidataQ113310745 ScholiaQ113310745MaRDI QIDQ5461200

Trevor Cickovski, Qun Ma, Scott S. Hampton, Matthew Nyerges, Thomas Slabach, Thierry Matthey, Alice Ko, Troy Raeder, Jesús A. Izaguirre

Publication date: 22 July 2005

Published in: ACM Transactions on Mathematical Software (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1145/1024074.1024075

Mathematics Subject Classification ID

Other programming paradigms (object-oriented, sequential, concurrent, automatic, etc.) (68N19) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Numerical algorithms for specific classes of architectures (65Y10)

Related Items (4)

Shadow hybrid Monte Carlo: an efficient propagator in phase space of macromolecules ⋮ Multiple-time-stepping generalized hybrid Monte Carlo methods ⋮ Coupled Navier-Stokes-Molecular dynamics simulations using a multi-physics flow simulation framework ⋮ ProtoMol

Uses Software

• Blitz++
• LAPACK
• ScaLAPACK
• OOMPAA
• BALL

This page was built for publication: ProtoMol, an object-oriented framework for prototyping novel algorithms for molecular dynamics