Frédéric Labat

Assistant Professor

Chimie ParisTech

France

Research Interests

Explore related searches

Professors in France

Contact this professor

Get a free first email built on one of their papers, ready for you to edit and send yourself.

About

Frédéric Labat is an Assistant Professor at Chimie ParisTech in France. His research focuses on first-principles modeling and computational investigations in the fields of electronic and optical properties of materials, particularly biogenic crystals and photocatalytic applications. He has published various articles, including studies on hydrazone synthesis and the sensing of diclofenac with DNA aptamers. Additionally, he explores organic compounds for solid-state luminescence and advances in continuum solvation modeling.

Articles (16)

Year:

2025

Year:

2025

Year:

2025

Year:

2025

Year:

2024

Year:

2024

Year:

2023

Year:

2023

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Year:

2021

Year:

2021

Year:

2020

Year:

2020

Collaborators (4)

Éric Brémond

Associate Professor

Université Paris-Saclay

FRANCE

View details

Carlo Adamo

PSL Research University

FRANCE

View details

Ilaria Ciofini

FRANCE

View details

Thierry Pauporté

FRANCE

View details

ApplyKite TwinLearns as you apply

Make your next move.

Prepare your application

Review drafts before you send them.

Frédéric Labat

Research Interests

Explore related searches

Contact this professor

About

Articles (16)

First-Principles Modeling of the Electronic and Optical Properties of Biogenic Crystals: The Case of Anhydrous Guanine

Mechanistic insights on hydrazones synthesis: a combined theoretical and experimental study

Sensing diclofenac with DNA aptamers: an atomistic picture from molecular modelling

Sulfur-doped g-C3N4/TiO2 anatase (101) composites for photocatalytic applications: a DFT-based computational investigation

Preface of Carlo Adamo's virtual special issue

Few layer graphene/TiO2 anatase (101) composites for photocatalytic applications: Electronic and optical properties from DFT and electrostatic embedding

Modeling the Electronic and Optical Properties of Lead-Based Perovskite Materials: Insights from Density Functional Theory and Electrostatic Embedding

Organic compounds for solid state luminescence enhancement/aggregation induced emission: a theoretical perspective

Modeling the spectral properties of poly(x‐phenylenediamine) conducting polymers using a combined TD‐DFT and electrostatic embedding approach

Towards a transferable nonelectrostatic model for continuum solvation: The electrostatic and nonelectrostatic energy correction model

Generalizing Continuum Solvation in Crystal to Nonaqueous Solvents: Implementation, Parametrization, and Application to Molecules and Surfaces

Assessing the performances of different continuum solvation models for the calculation of hydration energies of molecules, polymers and surfaces: a comparison between the SMD, VASPsol and FDPB models

Modeling UV–Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe

Evaluation of the performances of different atomic charge and nonelectrostatic models in the finite‐difference Poisson–Boltzmann approach

O2 Activation over Ag-Decorated CeO2(111) and TiO2(110) Surfaces: A Theoretical Comparative Investigation

Improving the heterointerface in hybrid organic–inorganic perovskite solar cells by surface engineering: Insights from periodic hybrid density functional theory calculations

Collaborators (4)

Éric Brémond

Carlo Adamo

Ilaria Ciofini

Thierry Pauporté

Make your next move.