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UID:69dc1748f189f
DTSTAMP:20260412T180600
DTSTART:20170210T110000
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DTEND:20170210T110000
URL:https://murmitoyen.com/events/vanille/udem/detail/745796-seminaire-de-l
 etudiant-rodrigo-wang-groupe-ernzerhof
LOCATION:Pavillon Roger-Gaudry \, 2900\, boul. Édouard-Montpetit\, Local M
 -415\, Montréal\, QC\, Canada
SUMMARY:Séminaire de l'étudiant Rodrigo Wang (Groupe Ernzerhof)
DESCRIPTION:Titre : ''Development of Exchange-Correlation Functionals Based
  on the Correlation Factor Approach’’
\nEndroit : Pavillon Roger-Gaudr
 y\, salle G-415 à 11 h 00.
\nCette conférence sera prononcée par Mons
 ieur Rodrigo Wang\, étudiant au doctorat du laboratoire de Matthias Ernz
 erhof\, professeur au Département de chimie de l'Université de Montréal
 .
\nRésumé:Electronic structure theory (EST) addresses a wide range of p
 henomena in areas such as chemistry\, physics\, materials science\, and bi
 ology. Since the beginning of the 20th century\, after the discovery of th
 e electron\, EST has provided the language of chemistry and many of its mo
 dels and tools. Quantum mechanics\, developed in the 1920s provides an exa
 ct formal description of electrons through Schrodinger’s equation. Howev
 er\, the development of quantitative models for chemistry was hampered by 
 the enormous complexity of Schrodinger’s equation for many-electron syst
 ems. In particular the development of density functional theory (DFT) init
 iated an ongoing transformation of many areas of science. Nowadays\, DFT i
 s the most used electronic structure method in computational chemistry and
  physics. Its applicability ranges from understanding of electron transpor
 t\, investigation of catalytic and photodissociation processes\, drug desi
 gn and many other. The development of approximations to the exchange-corre
 lation functional is the key objective in DFT. In this project\, we constr
 uct new approximations to the exchange-correlation energy functional (EXC)
  based on the Correlation Factor approach (CF) which was developed. in the
  group of Professor Matthias Ernzerhof.
\nInformation supplémentaireAnnon
 ce PDF du séminaire
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