Skip to content
  • Home
  • Présentation
  • Equipes de recherche
  • Enseignement
  • Publications
  • Recrutement
  • Annuaire

Laboratoire de Chimie Théorique

Logiciels developpés au LCT

CHAMP

LIGHT

2LIGHT

Nciplot

NCIweb

Orbimol

ORTHO

Quantum Package

QMCMOL

Tinker-HP

Tinker

TopChem

TopMod

Contribution du LCT à

CRYSTAL

DALTON

MOLPRO

VENUS

RRKM

Seminaires / Workshops

Logiciels LCT

#LCT_UMR7616

Laboratoire de Chimie ThéoriqueFollow

Laboratoire de Chimie Théorique
Retweet on TwitterLaboratoire de Chimie Théorique Retweeted
jppiquemJean-Philip Piquemal@jppiquem·
27 Jan

#compchem🚨#preprint🚨:Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties & long-range effects. Great work by @Thomas__Ple introducing the hybrid physically-driven #machinelearning FENNIX model https://t.co/W8o1DcItec

4
Reply on TwitterRetweet on Twitter19Like on Twitter58Twitter
Retweet on TwitterLaboratoire de Chimie Théorique Retweeted
jppiquemJean-Philip Piquemal@jppiquem·
25 Jan

#compchem #quantumcomputing New #preprint: Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze. Great work by @ChemCesar (@qubit_pharma) & M. Hassan; nice theochem/maths interdiscipl. collab. with Y. Maday https://t.co/fsAbOE3FpX

2
Reply on TwitterRetweet on Twitter8Like on Twitter27Twitter
Retweet on TwitterLaboratoire de Chimie Théorique Retweeted
jppiquemJean-Philip Piquemal@jppiquem·
23 Jan

#compchem #quantumcomputing New #preprint: Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations. Nice work by @HaidarM54481494
https://t.co/rcmk0OWTvC

Reply on TwitterRetweet on Twitter3Like on Twitter6Twitter
Retweet on TwitterLaboratoire de Chimie Théorique Retweeted
riccardospRiccardo@riccardosp·
23 Jan

Interested in path integral linearization, resonance Raman (and as by-product absorption) and quasi-classical simulations? See our ArXiv published today with @RodVuilleumier @LCT_UMR7616 @Chimie__ENS @ScienceSorbonne #compchem
https://t.co/8oLPU4iLki

Reply on TwitterRetweet on Twitter2Like on Twitter7Twitter
Retweet on TwitterLaboratoire de Chimie Théorique Retweeted
riccardospRiccardo@riccardosp·
19 Jan

First accepted paper of the year and it is on ... an organic synthesis journal ! 😮 thanks to @ichataig :)
Soon on "Synthesis" @thiemechemistry @LCT_UMR7616
https://t.co/BGs1AE99D5

Reply on TwitterRetweet on Twitter1Like on Twitter3Twitter
Load More...
Intranet LCT
WebMail LCT
Mentions Légales
Contacts
  • Logo de Sorbonne Université
  • Logo du CNRS
  • Logo du LCT
  • Laboratoire de Chimie Théorique, Sorbonne Université, Site Jussieu, Barre 12-13 4ième étage, 4 place Jussieu, 75052 Paris cedex. Tél.: +33 1 44 27 38 44
  • Numéro RNSR: 199712661E