Atreyee Banerjee

Published/Submitted

1. Determining glass transition in all-atom acrylic polymeric melts simulations using machine learning
   A. Banerjee, A. Iscen, K. Kremer, O. Kukharenko J. Chem. Phys.(2023)
   
2. Data-driven identification and analysis of the glass transition in polymer melts
   A. Banerjee, H. Hsu, K. Kremer, O. Kukharenko ACS. Macro. Lett.(2023)
   
3. Finite-size excess-entropy scaling for simple liquids,
   M. Sevilla, A. Banerjee, R. Cortes-Huerto J. Chem. Phys. (2023)
   
4. Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions
   A. Banerjee, M. Sevilla, J. F. Rudzinski, R. Cortes-Huerto Soft Matter(2022)
   
5. Energy landscapes for a modified repulsive Weeks--Chandler--Andersen potential A. Banerjee, D. J. Wales Journal of Physics: Condensed Matter (2021)
   
6. Side-chain polarity modulates the intrinsic conformational landscape of model dipeptides
   D. Chakrabarty, A. Banerjee, DJ Wales The Journal of Physical Chemistry B (2021)
   
7. Crystal structure prediction of benzene molecule using basin hopping method
   A. Banerjee, D Jasrasaria, S. Niblett, DJ Wales The Journal of Physical Chemistry A (2021)
   
8. Fragility and correlated dynamics in supercooled liquids A. Banerjee, D. J. Wales The Journal of Chemical Physics 153, 124501 (2020)
   
9. Role of the Pair Correlation Function in the Dynamical Transition Predicted by Mode Coupling Theory M. K. Nandi, A. Banerjee, C. Dasgupta, S. M. Bhattacharyya Physical Review Letters 119, 265502 (2017)
   
10. Determination of onset temperature from the entropy for fragile to strong liquids A. Banerjee M. K. Nandi, S. Sastry, S. M. Bhattacharyya The Journal of chemical physics 147, 024504 (2017)
    
11. Validity of the Rosenfeld relationship: A comparative study of the network forming NTW model and other simple liquids A. Banerjee, M. K. Nandi, S. M. Bhattacharyya Journal of Chemical Sciences 129, 793-800 (2017)
    
12. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy U. K. Nandi, A. Banerjee, S. Chakrabarty, S. M. Bhattacharyya The Journal of chemical physics 145, 034503 (2016)
    
13. Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities A. Banerjee, M. K. Nandi, S. Sastry, S. M. Bhattacharyya The Journal of chemical physics 145, 034502 (2016)
    
14. Unraveling the success and failure of mode coupling theory from consideration of entropy M. K. Nandi, A. Banerjee, S. Sengupta, S. Sastry, S. M. Bhattacharyya The Journal of chemical physics 143, 174504 (2015)
    
15. The role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials A. Banerjee, S. Sengupta, S. Sastry, S. M. Bhattacharyya Physical Review Letter 113, 225701 (2014)
    
16. Interplay between crystallization and glass transition in binary Lennard-Jones mixtures A. Banerjee , S. Chakrabarty, S. M. Bhattacharyya The Journal of chemical physics 139, 104501 (2013)
    
17. Non-monotonic size dependence of diffusion and levitation effect: A mode-coupling theory analysis M. K. Nandi, A. Banerjee, S. M. Bhattacharyya The Journal of Chemical Physics 138, 12505 (2013)
    

Under Preparation

1. Glass Transition and Jamming Transition of dense fluid of compressible binary repulsive potential
   A. Banerjee, ADS Parmer, S Sastry, SM Bhattacharyya