BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Quantum Algorithm for Real-Space Chemistry on Adaptive Molecular G
 rids - César Feniou\, Sorbonne Université and Qubit-Pharmaceuticals
DTSTART:20260121T123000Z
DTEND:20260121T140000Z
UID:TALK242959@talks.cam.ac.uk
CONTACT:Lila Cadi Tazi
DESCRIPTION:First-quantized\, real-space formulations of quantum chemistry
  on quantum computers are appealing: qubit count scales logarithmically wi
 th spatial resolution\, and the two-body Coulomb term achieve quadratic sc
 aling\, rather than usual quartic scaling in orbital-based approaches. How
 ever\, existing schemes employ uniform discretizations whose resolution is
  imposed by the electron‑nuclear cusps of the wave functions in high‑d
 ensity regions\, thereby oversampling low-density regions and wasting comp
 utational resources. To address this\, we repurpose the non‑uniform\, mo
 lecule‑adaptive grids long used for DFT integration\, which concentrate 
 points where the electronic density is highest\, to discretize the molecul
 ar Hamiltonian. Once encoded as a quantum operation\, its ground state can
  be obtained with standard Quantum Phase Estimation. We further derive a t
 ranscorrelated\, non‑Hermitian yet isospectral Hamiltonian that removes 
 Coulomb singularities and associated cusps in its eigenfunctions\, whose g
 round‑state energy is accessible through the recent generalized Quantum 
 Eigenvalue Estimation protocol. Numerical validation on benchmark systems 
 confirms this ab initio framework paves a promising route to ground‑stat
 e chemistry on quantum hardware.
LOCATION:Todd-Hamied Room\, Department of Chemistry\, Cambridge
END:VEVENT
END:VCALENDAR