4 papers
High Performance Quantum Emulation for Chemistry Applications with Hyperion
Olivier Adjoua, Siwar Badreddine, César Feniou +4
The strategic demand for quantum hardware currently outpaces the availability of near-term devices, necessitating high-performance software emulators to validate novel protocols. W…
Kroneckerised Particle Mesh Ewald
Igor Chollet
Particle Mesh Ewald (PME) methods accelerated through Fast Fourier Transforms (FFTs) for their reciprocal part are widely used to solve N -body problems over periodic structures wi…
Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry
Siwar Badreddine, Igor Chollet, Laura Grigori
We introduce two new approximation methods for the numerical evaluation of the long-range Coulomb potential and the approximation of the resulting high dimensional Two-Electron Int…
A Directional Equispaced interpolation-based Fast Multipole Method for oscillatory kernels
Igor Chollet, Xavier Claeys, Pierre Fortin +1
Fast Multipole Methods (FMMs) based on the oscillatory Helmholtz kernel can reduce the cost of solving N-body problems arising from Boundary Integral Equations (BIEs) in acoustic o…