Fast marching method for calculating reactive trajectories for chemical reactions
From MaRDI portal
Publication:882590
DOI10.1007/s10910-006-9060-6zbMath1110.92065WikidataQ58191418 ScholiaQ58191418MaRDI QIDQ882590
Paul W. Ayers, Bijoy K. Dey, Stuart Bothwell
Publication date: 24 May 2007
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-006-9060-6
Related Items
Finding minimum energy reaction paths on ab initio potential energy surfaces using the fast marching method, Newton trajectories for finding stationary points on molecular potential energy surfaces
Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Handbook of stochastic methods for physics, chemistry and the natural sciences
- A direct approach to conformational dynamics based on hybrid Monte Carlo
- Multivariate interpolation of large sets of scattered data
- Smooth interpolation of large sets of scattered data
- Fast Marching Methods
- A fast marching level set method for monotonically advancing fronts.
- The Art of Molecular Dynamics Simulation