Background
Darve's research is focused on the development of numerical methods for large scale scientific computing with applications in bio-molecular simulations, acoustics, electromagnetics, and microfluidics. In these applications, the computational expense of simulating large and complex systems is very significant and in many instances beyond current computer capabilities. Professor Darve is developing innovative numerical techniques to reduce this computational expense and enable the simulation of complex systems over realistic time scales. Examples of numerical techniques include: the fast multipole method, the adaptive biasing force method (free energy of proteins and bio-molecules), and multiscale time integrators. This is applied, among other things, to computing and solving generalized Langevin equation, Fokker-Planck equations, reaction rates, and studying rare events in molecular systems. Professor Darve has also an activity in computer science in which he uses processors with novel architectures, such as GPUs, and the Cell processor, for scientific computing. Applications range from particle simulation to fluid dynamics and solving partial differential equations.
Education
- Ph.D. Applied Mathematics, Jacques-Louis Lions Laboratory, Pierre et Marie Curie University, 1999,
Title: Méthodes multipôles rapides: résolution des équations de Maxwell par formulations intégrales
- M.S. Mathematics, Paris-Dauphine University, Paris, 1995 (with Honors)
- B.S. Mathematics and Computer Science, Ecole Normale Supérieure, 45 rue d’Ulm, Paris , 1994
Selected Journal Publications
- Large-scale stochastic linear inversion using hierarchical matrices. S. Ambikasaran, J.Y. Li, P.K. Kitanidis and E. Darve. Computational Geosciences, 17(6):913-927, 2013. (URL) (BIB)
- Extension and optimization of the FIND algorithm: Computing Green's and less-than Green's functions. S. Li and E. Darve. Journal of Computational Physics, 231(4):1121-1139, 2012. (URL) (BIB)
- High-ionic-strength electroosmotic flows in uncharged hydrophobic nanochannels. D. Kim and E. Darve. Journal of Colloid and Interface Science, 330(1), 2009. (URL) (BIB)
- Large calculation of the flow over a hypersonic vehicle using a GPU. E. Elsen, P. LeGreseley and E. Darve. Journal of Computational Physics, 227(24), 2008. (URL) (BIB)
- Fast electrostatic force calculation on parallel computer clusters. A. Kia, D. Kim and E. Darve. Journal of Computational Physics, 227(19), 2008. (URL) (BIB)
Current Ph.D. Students
| Name
| Research Area
|
| Cris Cecka
| Streaming computing, graphics cards, fast multipole method
|
| Erich Elsen
| Streaming computing, graphics cards, fluid dynamics, domain specific languages
|
| William Fong
| Multi-scale time integrators, fast multipole method
|
| Amir-Ali Kia
| Protein modeling, free energy, reaction pathways, fast multipole method
|
| Song Li
| Computational linear algebra, sparse matrices, quantum mechanics
|
| Arvind Saibaba
| Microfluidics
|
| Jose Solomon
| Molecular dynamics, empirical force fields, quantum mechanics, Barium Titanate, crystals
|
Ph.D. Graduates
| Name
| Year
| Current Employment
|
