MetaSimulation of Nonequilibrium Processes

The MSNEP Group


Jerome Delhommelle, PhD

Habilitation in Theoretical Chemistry, Université Henri Poincare, Nancy I
Ph.D. in Molecular Physics & Chemistry, Université Paris-Saclay
Ecole Normale Superieure, Paris-Saclay

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Tharuka Artigalage Don

BSc (Hons) in Bioinformatics, University of Colombo (Sri Lanka)

ML-guided design of biomimetic materials

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Noshaba Noshia

MPhil in Chemistry, University of Lahore (Pakistan)
MSc in Chemistry, University of Agriculture Faisalabad (Pakistan)

Computational & ML analysis of phase transitions


Ahsan Raza

MS in Bioinformatics, Comsats University Islamabad, Pakistan
BS in Bioinformatics, Comsats University Islamabad, Pakistan.

Generative AI for Rational Inhibitor Design

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Kithma Sajini

BSc (Hons) in Computational Chemistry, University of Colombo (Sri Lanka)

Computational design of nanoclusters and nanomaterials



Alec DiCicco

Computational design of nanoclusters and nanomaterials

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Peter Geris

ML-guided Inhibitor Design


Ben Lu

ML-guided nanoporous materials deisgn


Markas Petone

ML-guided protein design