Eric Darve
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Free energy calculations
C Chipot, A Pohorille
Springer-Verlag Berlin Heidelberg, 2007
10862007
Calculating free energies using average force
E Darve, A Pohorille
The Journal of Chemical Physics 115 (20), 9169-9183, 2001
9352001
How Powerful are Graph Neural Networks?
K Xu, W Hu, J Leskovec, S Jegelka
arXiv preprint arXiv:1810.00826, 2018
8822018
Adaptive biasing force method for scalar and vector free energy calculations
E Darve, D Rodríguez-Gómez, A Pohorille
The Journal of chemical physics 128 (14), 144120, 2008
6262008
The fast multipole method: numerical implementation
E Darve
Journal of Computational Physics 160 (1), 195-240, 2000
4252000
Liszt: a domain specific language for building portable mesh-based PDE solvers
Z DeVito, N Joubert, F Palacios, S Oakley, M Medina, M Barrientos, ...
Proceedings of 2011 International Conference for High Performance Computing …, 2011
2852011
The black-box fast multipole method
W Fong, E Darve
Journal of Computational Physics 228 (23), 8712-8725, 2009
2542009
Large calculation of the flow over a hypersonic vehicle using a GPU
E Elsen, P LeGresley, E Darve
Journal of Computational Physics 227 (24), 10148-10161, 2008
2442008
Assembly of finite element methods on graphics processors
C Cecka, AJ Lew, E Darve
International journal for numerical methods in engineering 85 (5), 640-669, 2011
2382011
Assembly of finite element methods on graphics processors
C Cecka, AJ Lew, E Darve
International journal for numerical methods in engineering 85 (5), 640-669, 2011
2382011
Assessing the efficiency of free energy calculation methods
D Rodriguez-Gomez, E Darve, A Pohorille
The Journal of chemical physics 120 (8), 3563-3578, 2004
2262004
The fast multipole method I: error analysis and asymptotic complexity
E Darve
SIAM Journal on Numerical Analysis 38 (1), 98-128, 2000
2202000
A smooth particle-mesh Ewald algorithm for Stokes suspension simulations: The sedimentation of fibers
D Saintillan, E Darve, ESG Shaqfeh
Physics of Fluids 17 (3), 033301, 2005
1832005
An   Fast Direct Solver for Partial Hierarchically Semi-Separable Matrices
S Ambikasaran, E Darve
Journal of Scientific Computing 57 (3), 477-501, 2013
1662013
Calculating free energies using a scaled-force molecular dynamics algorithm
E Darve, MA Wilson, A Pohorille
Molecular Simulation 28 (1-2), 113-144, 2002
1482002
Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels
D Kim, E Darve
Physical review E 73 (5), 051203, 2006
1352006
Efficient fast multipole method for low-frequency scattering
E Darve, P Havé
Journal of Computational Physics 197 (1), 341-363, 2004
1312004
Optimizing data structures in high-level programs: new directions for extensible compilers based on staging
T Rompf, AK Sujeeth, N Amin, KJ Brown, V Jovanovic, HJ Lee, ...
Proceedings of the 40th annual ACM SIGPLAN-SIGACT symposium on Principles of …, 2013
1232013
Hydrodynamic interactions in the induced-charge electrophoresis of colloidal rod dispersions
D Saintillan, E Darve, ESG Shaqfeh
Journal of Fluid Mechanics 563, 223, 2006
1222006
N-body simulations on GPUs
E Elsen, V Vishal, M Houston, V Pande, P Hanrahan, E Darve
arXiv preprint arXiv:0706.3060, 2007
1092007
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Artiklar 1–20