Computational method development, molecular simulations, machine learning-based potentials, growth of organic crystals, modeling of energy materials and functional polymers.
◾ Modulating the Thermoresponsive Characteristics of PLGA-PEG-PLGA Hydrogels via Manipulation of PLGA Monomer Sequences, BIOMACROMOLECULES, vol.25 No.8 pp.5374~5386, 2024서범준
◾ Electrochemical Stability Windows of Sulfone-Based Electrolyte System for Lithium Metal Batteries: Insight from MD-Assisted DFT Calculation, The Journal of Physical Chemistry C, vol.127 No.46 pp.22447~22456, 2023서범준
◾ Unraveling two distinct polymorph transition mechanisms in one n-type single crystal for dynamic electronics, NATURE COMMUNICATIONS, vol.14 No.1, 2023서범준
◾ Evidence That Less Can Be More for Transferable Force Fields, Journal of Chemical Information and Modeling, vol.63 No.4 pp.1188~1195, 2023서범준
◾ Side-Chain Control of Topochemical Polymer Single Crystals with Tunable Elastic Modulus, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol.61 No.49, 2022서범준
◾ Ion-Solvent Interplay in Concentrated Electrolytes Enables Subzero Temperature Li-Ion Battery Operations, ACS Applied Materials & Interfaces, vol.14 No.37 pp.41934~41944, 2022서범준
◾ Circularly Recyclable Polymers Featuring Topochemically Weakened Carbon-Carbon Bonds, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol.144 No.36 pp.16588~16597, 2022서범준
◾ Role of the Solvation Shell Structure and Dynamics on K-Ion and Li-Ion Transport in Mixed Carbonate Electrolytes, BATTERIES & SUPERCAPS, vol.5 No.1, 2021서범준
◾ Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields, JOURNAL OF CHEMICAL INFORMATION AND MODELING, vol.61 No.10 pp.5013~5027, 2021서범준
◾ Predicting diffusion behavior of disperse dyes in polyester fibers by a method based on extraction, JOURNAL OF SUPERCRITICAL FLUIDS, vol.157, 2020서범준
◾ Enhanced sampling of cylindrical microphase separation via a shell-averaged bond-orientational order parameter, SOFT MATTER, vol.16 No.3 pp.659~667, 2020서범준