Researchers | Centre for Research in Molecular Modeling

Alex De Visscher

Department of Chemical & Materials Engineering
Concordia University

Research activities

Using oxidation in chemical processing
Reuse of carbon dioxide emissions
Solution thermodynamics and solubility

Gilles Peslherbe

Department of Chemistry & Biochemistry
Department of Physics
Concordia University

Research activities

Physical/theoretical/computational chemistry
Materials and multi-scale modeling
Biophysical chemistry
Chemical physics and biology

Deniz Meneksedag Erol

Chemical and Materials Engineering
Concordia University

Research activities

Computational Biology
Molecular dynamics simulations
Cancer therapy
SiRNA

Greg Van Anders

Department of Physics
Queen's University

Research activities

Micro- and nano-photonics
Optical properties of nanomaterials
Slowing down trapped light

Van Anders' group uses theory, modelling, and simulation to investigate emergent behaviours in complex systems and soft materials. Work in his group has introduced novel algorithms and identified new phenomena in systems including self-assembled nanomaterials, distributed systems, land-use planning, and neural networks. With Glotzer he introduced the concepts of entropic patchiness, shape entropy, digital alchemy, and entropic bonding in the organization of colloids. He also demonstrated preassembly for hierarchically structured materials, the existence of flashpoint instabilities in land-use planning, Pareto-Laplace transform approaches to non-convex optimization, and the sufficient training paradigm for neural network.

Rachael (Ré) Mansbach

Department of Physics
Concordia University

Research activities

Computational biophysics
Machine learning
Molecular dynamics
Protein modelling

Pablo Bianucci

Department of Physics
Concordia University

Research activities

Micro- and nano-photonics
Optical properties of nanomaterials
Slowing down trapped light

Scott Bohle

Department of Chemistry
McGill University

Research activities

Chemical biology
Synthesis/catalysis

Phillip Choi

Department of Chemical & Materials Engineering
University of Alberta

Research activities

Molecular modeling of polymers
Polymer blend thermodynamics
Solubility properties of surfactants
Urethane coatings

Ann English

Department of Chemistry & Biochemistry
Concordia University

Research activities

Bioinorganic, analytical and biophysical chemistry
Oxidative stress
Nitric oxide biochemistry
Proteomics
Mass spectrometry

Matthias Ernzerhof

Department of Chemistry
Université de Montréal

Research activities

Theoretical/computational chemistry
Electronic structure
Molecular electronics

Mathieu Frenette

Department of Chemistry
Centre de recherche NanoQAM
Université du Québec à Montréal

Research activities

Catalysis
Chemical reactions
Chemical structure
Photochemistry

Research in (photo)redox reaction mechanisms and spectroscopic identification of reaction intermediates by transient absorption spectroscopy and Raman, supplemented by quantum chemical calculations. Broadly interested in photocatalysis, photochemistry, free radical chemistry, lipid oxidation, kinetics and mechanisms.