How Powerful are Graph Neural Networks? K Xu, W Hu, J Leskovec, S Jegelka arXiv preprint arXiv:1810.00826, 2018 | 7941 | 2018 |
Free energy calculations C Chipot, A Pohorille Springer 86, 159-184, 2007 | 1414 | 2007 |
Calculating free energies using average force E Darve, A Pohorille The Journal of chemical physics 115 (20), 9169-9183, 2001 | 1194 | 2001 |
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), 2008 | 878 | 2008 |
The fast multipole method: numerical implementation E Darve Journal of Computational Physics 160 (1), 195-240, 2000 | 508 | 2000 |
The black-box fast multipole method W Fong, E Darve Journal of Computational Physics 228 (23), 8712-8725, 2009 | 343 | 2009 |
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 | 328 | 2011 |
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 | 293 | 2011 |
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 | 293 | 2008 |
An Fast Direct Solver for Partial Hierarchically Semi-Separable Matrices: With Application to Radial Basis Function Interpolation S Ambikasaran, E Darve Journal of Scientific Computing 57, 477-501, 2013 | 256 | 2013 |
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 | 248 | 2004 |
The fast multipole method I: Error analysis and asymptotic complexity E Darve SIAM Journal on Numerical Analysis 38 (1), 98-128, 2000 | 238 | 2000 |
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), 2005 | 207 | 2005 |
Calculating free energies using a scaled-force molecular dynamics algorithm E Darve, MA Wilson, A Pohorille Molecular Simulation 28 (1-2), 113-144, 2002 | 180 | 2002 |
Learning constitutive relations from indirect observations using deep neural networks DZ Huang, K Xu, C Farhat, E Darve Journal of Computational Physics 416, 109491, 2020 | 179* | 2020 |
Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels D Kim, E Darve Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 73 (5 …, 2006 | 155 | 2006 |
Computing generalized Langevin equations and generalized Fokker–Planck equations E Darve, J Solomon, A Kia Proceedings of the National Academy of Sciences 106 (27), 10884-10889, 2009 | 154 | 2009 |
Efficient fast multipole method for low-frequency scattering E Darve, P Havé Journal of Computational Physics 197 (1), 341-363, 2004 | 147 | 2004 |
Learning constitutive relations using symmetric positive definite neural networks K Xu, DZ Huang, E Darve Journal of Computational Physics 428, 110072, 2021 | 145 | 2021 |
A fast block low-rank dense solver with applications to finite-element matrices A Aminfar, S Ambikasaran, E Darve Journal of Computational Physics 304, 170-188, 2016 | 144 | 2016 |