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X-FROM-URL:https://eom.sdu.dk/events/ical/19e588db-0bc8-462f-904d-1b0ef70c
 1a3b
X-WR-CALNAME:QC Research Seminar: Early fault-tolerant quantum algorithms 
 to target molecular eigenstates
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TZID:Europe/Copenhagen
X-LIC-LOCATION:Europe/Copenhagen
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DTSTART:20261028T030000
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DESCRIPTION:Molecular eigenstates—encompassing both ground and excited sta
 tes—are central to understanding a wide range of chemical phenomena. Grou
 nd-state eigenproperties govern molecular structure\, bonding patterns\, 
 and reactivity\, while higher eigenstates determine photochemical pathway
 s\, energy-transfer dynamics\, spectroscopic signatures\, and material fu
 nctionality. Accurately computing these states remains a core challenge\,
  especially when strong electron correlation demands multiconfigurational
  treatments. Classical approaches such as the Density Matrix Renormalizat
 ion Group (DMRG) [1] can efficiently capture correlation in large active 
 spaces and have been extended to the computation of multiple eigenstates 
 [2]. However\, their scalability is ultimately limited in molecular syste
 ms with significant long-range interactions. Quantum computing offers a p
 romising alternative. In the fully fault-tolerant regime\, algorithms suc
 h as Quantum Phase Estimation (QPE) provide systematically improvable acc
 uracy with favorable asymptotic scaling. Yet current hardware faces const
 raints including short coherence times\, substantial noise\, and limited 
 qubit counts. The emergence of early fault-tolerant devices—characterized
  by higher qubit numbers and improved error resilience—creates new opport
 unities for quantum algorithms that bridge the gap between today’s noisy 
 processors and future fully fault-tolerant machines. To make effective us
 e of this intermediate regime\, algorithms tailored specifically to early
  fault-tolerant architectures are needed. Inspired by classical eigenvalu
 e-targeting strategies\, we develop quantum methods based on Krylov-subsp
 ace techniques and Quantum Singular Value Transformation (QSVT) [3] to ef
 ficiently compute correlated molecular eigenstates [4\,5]. These approach
 es are designed to leverage the enhanced capabilities of early fault-tole
 rant hardware while requiring significantly fewer resources than algorith
 ms aimed at the fully fault-tolerant era. [1] S. R. White\, Phys. Rev. Le
 tt. 69\, 2863–2866 (1992)[2] N. Glaser\, A. Baiardi\, M. Reiher\, J. Chem
 . Theory Comput. 19\, 9329-9343 (2023)[3] A. Gilyén\, Y. Su\, G. H. Low\,
  N. Wiebe\, STOC\, pp. 193–204 (2019)[4] M. G. J. Oliveira\, N. Glaser\, 
 Phys. Rev. A 112\, 052442 (2025)[5] S. Patil\, N. Glaser\, in preparation
DTEND:20251204T130000Z
DTSTAMP:20260602T163100Z
DTSTART:20251204T120000Z
LOCATION:Syddansk Universitet\, Campusvej 55\, 5230\, Odense M
SEQUENCE:0
SUMMARY:QC Research Seminar: Early fault-tolerant quantum algorithms to ta
 rget molecular eigenstates
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