Abstract:
• Understand biomolecular systems through their motions •Numerical integration of Newton's laws of motion — Model atoms as point masses — Compute forces on every atom bas...Show MoreMetadata
Abstract:
• Understand biomolecular systems through their motions •Numerical integration of Newton's laws of motion — Model atoms as point masses — Compute forces on every atom based on current positions — Update atom velocities and positions in discrete time steps of a few femtoseconds • Force computation described by a model: the force field
Published in: 2021 IEEE Hot Chips 33 Symposium (HCS)
Date of Conference: 22-24 August 2021
Date Added to IEEE Xplore: 20 October 2021
ISBN Information: