• Chimie

Laboratoire de chimie théorique | LCT

LCT

  • Unité mixte de recherche

Publié le 23/04/2020 - Mis à jour le 16/12/2024

Équipes

Pôle 1 : Méthodes et outils pour la chimie quantique

Pôle 2 : Modélisation des systèmes complexes

Direction

  • Jean-Philip Piquemal

Direction adjointe

  • Alexis Markovits

Administration

Tutelle hébergeante

  • Sorbonne Université

Autres tutelles

  • Centre National de la Recherche Scientifique | CNRS

Publications

  1. Publications LCT

Publications sur HAL - Archive ouverte

Toutes les publications sur HAL
  • Article dans une revue

Wasserstein contraction for the stochastic Morris-Lecar neuron model

Maxime Herda, Pierre Monmarché, Benoît Perthame

Neuron models have attracted a lot of attention recently, both in mathematics and neuroscience. We are interested in studying long-time and largepopulation emerging properties in a simplified toy model. From a mathematical perspective, this amounts to study the long-time behaviour of a degenerate…

Kinetic and Related Models , 2025, 18 (1), pp.1-18. ⟨10.3934/krm.2024009⟩. ⟨hal-04170316v2⟩

  • Pré-publication, Document de travail

Satellite Tobacco Mosaic Virus: Revealing Environmental Drivers of Capsid and Nucleocapsid Stability using High-Resolution Simulations

Marharyta Blazhynska, Olivier Adjoua, Zoe Vetter, Louis Lagardère, Jean-Philip Piquemal

Satellite tobacco mosaic virus (STMV) is a model system for studying viral assembly and stability due to its architecture: a single-stranded RNA genome enclosed in an icosahedral capsid. Coupling a polarizable force-field to enhanced sampling, we explored at high-resolution the long-timescale…

2025. ⟨hal-04920167⟩

  • Article dans une revue

The intriguing role of L-cysteine in the modulation of chiroplasmonic properties of chiral gold nano-arrows

Nada Khalfaoui-Hassani, Mary Tabut, Ndeye Haby Awe, Christophe Desmarets, Daniele Toffoli, Mauro Stener, Nicolas Goubet, Monica Calatayud, Caroline Salzemann

Developing chiral plasmonic nanostructures represents a significant scientific challenge due to their multidisciplinary potential. Observations have revealed that the dichroic behavior of metal plasmons changes when chiral molecules are present in the system, offering promising applications in…

Nanoscale, 2025, ⟨10.1039/D4NR04131C⟩. ⟨hal-04867424⟩

  • Pré-publication, Document de travail

VTX: Real-time high-performance molecular structure and dynamics visualization software

Maxime Maria, Simon Guionnière, Nicolas Dacquay, Cyprien Plateau-Holleville, Valentin Guillaume, Vincent Larroque, Jean Lardé, Yassine Naimi, Jean-Philip Piquemal, Guillaume Levieux, Nathalie Lagarde, Stéphane Mérillou, Matthieu Montes

VTX is a molecular visualization software capable to handle most molecular structures and dynamics trajectories file formats. It features a real-time high-performance molecular graphics engine, based on modern OpenGL, optimized for the visualization of massive molecular systems and molecular…

2025. ⟨hal-04917948⟩

Toutes les publications sur HAL

Coordonnées

Adresse physique

Laboratoire de Chimie Théorique, Campus Pierre et Marie Curie, Faculté des Sciences et Ingénierie - Sorbonne Université, Barre 12-13, 4e étage, 4 place Jussieu 75005 Paris
Adresse physique
Laboratoire de Chimie Théorique
Campus Pierre et Marie Curie
Faculté des Sciences et Ingénierie - Sorbonne Université
Barre 12-13, 4e étage
4 place Jussieu 75005 Paris
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