Background
Darve's research is focused on the development of numerical methods for large scale scientific computing with applications in biomolecular 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 biomolecules), and multiscale time integrators. This is applied, among other things, to computing and solving generalized Langevin equation, FokkerPlanck 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, JacquesLouis Lions Laboratory, Pierre et Marie Curie University, 1999,
Title: Méthodes multipôles rapides: résolution des équations de Maxwell par formulations intégrales
 M.S. Mathematics, ParisDauphine University, Paris, 1995 (with Honors)
 B.S. Mathematics and Computer Science, Ecole Normale Supérieure, 45 rue d’Ulm, Paris , 1994
Selected Journal Publications
 Largescale stochastic linear inversion using hierarchical matrices. S. Ambikasaran, J.Y. Li, P.K. Kitanidis and E. Darve. Computational Geosciences, 17(6):913927, 2013. (URL) (BIB)
 Extension and optimization of the FIND algorithm: Computing Green's and lessthan Green's functions. S. Li and E. Darve. Journal of Computational Physics, 231(4):11211139, 2012. (URL) (BIB)
 Highionicstrength 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
 Multiscale time integrators, fast multipole method

AmirAli 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
