Atreyee Banerjee

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I am interested in understanding the structural and dynamical properties of complex systems such as supercooled liquids, polymers, polymorphic organic crystals. I use theory, computater simulation, data-driven methods to characterise and understand the behaviour of these complex systems. Currently, I am a postdoctoral researcher in the polymer theory group headed by Prof. Dr. Kurt Kremer at the Max Planck Institute for Polymer Research in Mainz, Germany. Within the group, I closely collaborate with Dr. Oleksandra Kukharenko.

Before coming to Mainz, I was a postdoc at the Cambridge University, United Kingdom. I worked with Prof. David Wales. I got my PhD from the CSIR National Chemical Laboratory, Pune, India. My PhD supervisor was Dr. Sarika Maitra Bhattacharyya.

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Updates

2023-08

Our paper , " Determining glass transition in all-atom acrylic polymeric melts simulations using machine learning ", got accepted in J. Chem. Phys. as a part of Machine Learning hits Molecular Dynamics special issue.

2023-07

I presented (Invited talk) our work on Polymer Glasses at Freiburg University, Germany.

2023-07

I taught (lecture and tutorial) in ENGAGE Summer School, 2023 at The Cyprus Institute, Cyprus.

2023-06

Our paper, " Data-driven identification and analysis of the glass transition in polymer melts ", was one of the most downloaded articles in ACS. Macro. Lett. in June, 2023.

2022-10

I presented (Contributed talk) our work on , " Data-driven identification of glass transition in polymer melts ", at GRK Workshop, Mainz, Germany. Here is the link: link

2022-09

I presented (Contributed talk) our work on , " Data-driven identification of glass transition in polymer melts ", at DPG 2022, Regensburg, Germany.

2022-08

I presented (invited talk) our work on , " Data-driven identification of glass transition in polymer melts ", at Topical Meeting on Molecular Dynamics. VI, Copenhagen, Denmark.

2022-03

Our paper from MPIP, " Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions ", got accepted in Soft Matter.

2021-12

I presented (invited talk) our work on , " Automated Identification of Collective Variables for Polymorphic systems from Molecular Dynamics Data ", at the SMCB seminar series (Statistical Mechanics in Chemistry and Biology), India. Here is the link: link

2021-11

I presented (contributed talk) our work on , " Data driven characterisation of the free energy landscape of polymorphic system ", at the SMTG Early Career Scientist Symposium 2021, organised by Royal Society of Chemistry, UK. Here is the link: link

2021-10

Our paper from Cambridge University, " Energy landscapes for a modified repulsive Weeks--Chandler--Andersen potential ", got accepted in the Journal of Physics: Condensed Matter.

2021-05

I presented our work on Data-driven Free Energy landscape of Polystyrene at Bunsen-Tagung-2021(virtual).

2021-04

Our paper from Cambridge University, " Crystal structure prediction for benzene using basin-hopping global optimization ", got accepted in the Journal of Physical Chemistry A!

2021-03

I delivered a talk at APS march meeting-2021(virtual). Here is the abstract link: link

2020-12

I delivered a talk at CompFlu-2020(virtual, organised by IIT-Bombay,India) in the Early Career Researcher session.

2020-10

My first paper from Cambridge University, "Fragility and correlated dynamics in supercooled liquids ", got accepted in the Journal of Chemical Physics!

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