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X-WR-CALNAME:[ICQ] Bruno Senjean (ICGM) Quantum algorithms for excited-stat
 e quantum chemistry
X-WR-TIMEZONE:Europe/Paris
BEGIN:VTIMEZONE
TZID:Europe/Paris
TZUNTIL:20261025T010000Z
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TZNAME:CET
DTSTART:20241027T030000
TZOFFSETFROM:+0200
TZOFFSETTO:+0100
RDATE:20251026T030000
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DTSTART:20240331T020000
TZOFFSETFROM:+0100
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RDATE:20250330T020000
RDATE:20260329T020000
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UID:f441d446-f9af-44a7-9f2a-1fc7369b7f49
DTSTAMP:20260425T195355Z
CLASS:PUBLIC
DESCRIPTION:Quantum physics and chemistry have provided well-recognized the
 oretical tools to predict the behavior of molecules and materials describe
 d by the Schrödinger equation. However\, many problems with high industria
 l and societal impact remain intractable for classical computers\, urging 
 us to reconsider our preconceptions and shift gears. The world of the infi
 nitely small obeys the laws of quantum mechanics\, suggesting the need for
  a machine governed by the same physics: this marks the birth of quantum c
 omputers\, a new technological revolution which promises a quantum advanta
 ge (speed-up) over classical computers. In this talk\, I will present the 
 state-averaged orbital-optimized variational quantum eigensolver (SA-OO-VQ
 E)\, designed to address the electronic structure problem for excited stat
 es [1-3]\, essential to unravel ubiquitous ultrafast (subpicosecond) photo
 chemical and photophysical ‘energy/charge/matter/ information’-transfer pr
 ocesses induced upon the absorption of light by molecules within the UV-vi
 sible domain. I will show that SA-OO-VQE exhibits a propensity to produce 
 an ab initio quasidiabatic representation “for free” if considered as a le
 ast-transformed block-diagonalization procedure [4]. These recent findings
  underscore the practical utility and potential of SA-OO-VQE for addressin
 g systems with complex nonadiabatic phenomena. \n\n[1] Nakanishi K. M.\, M
 itarai K.\, & Fujii K. (2019). Subspace-search variational quantum eigenso
 lver for excited states. Physical Review Research\, 1(3)\, 033062. \n[2] Y
 alouz S.\, Senjean B.\, Günther J.\, Buda F.\, O’Brien T. E.\, & Visscher 
 L. (2021). A state-averaged orbital-optimized hybrid quantum–classical alg
 orithm for a democratic description of ground and excited states. Quantum 
 Science and Technology\, 6(2)\, 024004. \n[3] Yalouz S.\, Koridon E.\, Sen
 jean B.\, Lasorne B.\, Buda F.\, & Visscher L. (2022). Analytical nonadiab
 atic couplings and gradients within the state-averaged orbital-optimized v
 ariational quantum eigensolver. Journal of chemical theory and computation
 \, 18(2)\, 776-794. \n[4] Illesova S.\, Beseda M.\, Yalouz S.\, Lasorne B.
 \, & Senjean B.\, to be submitted. \n\n\n\nhttps://combalgo.labri.fr/pmwik
 i.php/Groupe/Info-Quantique\n\nImport automatique depuis https://webmel.u-
 bordeaux.fr/home/bf-labri.ca@u-bordeaux.fr/gt.info-quantique.ics par sync_
 icals_to_drupal.py pour gt-iq
DTSTART;TZID=Europe/Paris:20250218T104500
DTEND;TZID=Europe/Paris:20250218T114500
LOCATION:Room 178
SEQUENCE:0
SUMMARY:[ICQ] Bruno Senjean (ICGM) Quantum algorithms for excited-state qua
 ntum chemistry
TRANSP:OPAQUE
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