List of Publications

• Rationalizing Linear and Nonlinear Optical Properties of Few-Layer Graphene-WSe2 Heterostructures, P. N. Samanta, D. Majumdar, J. Leszczynski, ACS Appl. Electron. Mater. 7, 9, 3810-3827 (2025). https://doi.org/10.1021/acsaelm.5c00102

• Revealing thermophysical and mechanical responses of graphene-reinforced polyvinyl alcohol nanocomposites using molecular dynamics simulations, P. N. Samanta, D. Majumdar, J. Leszczynski, Phys. Chem. Chem. Phys.  27, 18, 9448-9462 (2025). https://doi.org/10.1039/D4CP04706K

• Theoretical Studies on the Design of Benzo[1,2-c:4,5-c’]bis[1,2,5]selenadiazole Acceptor-Based Organic Dyes, Taylor Dorlus , Jing Wang and Jerzy Leszczynski, Crystals 15, 30, (2025). https://doi.org/10.3390/cryst15010030

• Photochemical versus thermal thiol-ene “click chemistry” for renewable polyols with application in polyurethanes, Maha L. Shrestha, Juganta K. Roy, Mihail Ionescu, Jerzy Leszczynski, J. Am. Oil. Chem. Soc. (2025).  https://doi.org/10.1002/aocs.12937

• Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers, A.P. Toropova, A.A. Toropov, V.O. Kudyshkin, D. Leszczynska & J. Leszczynski, SAR and QSAR in Environmental Research 36:1, 29-37, (2025). https://doi.org/10.1080/1062936X.2025.2453868

• Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds: density functional theory and quantitative structure–property relationship modeling, Gerardo M. Casanola-Martin, Jing Wang, Jian-ge Zhou, Bakhtiyor Rasulev, Jerzy Leszczynski, J. Mol. Model. 31, 18, (2025). https://doi.org/10.1007/s00894-024-06240-4