Computational method development, molecular simulations, machine learning-based potentials, growth of organic crystals, modeling of energy materials and functional polymers.
◾ Side-Chain Control of Topochemical Polymer Single Crystals with Tunable Elastic Modulus, Angewandte Chemie International Edition, 2022, 61, e202213840.
◾ Circularly Recyclable Polymers Featuring Topochemically Weakened Carbon-Carbon Bonds, Journal of the American Chemical Society, 2022, 144, 16588-16579.
◾ Ion-Solvent Interplay in Concentrated Electrolytes Enables Subzero Temperature Li-Ion Battery Operations, ACS Applied Materials & Interfaces, 2022, 14. 41934-41944.
◾ Role of the Solvation Shell Structure and Dynamics on K-Ion and Li-Ion Transport in Mixed Carbonate Electrolytes, Batteries & Supercaps, 2022, 5, e202100223.
◾ Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields, Journal of Chemical Information and Modeling, 2021, 61, 5013-5027.
◾ Enhanced sampling of cylindrical microphase separation via shell-averaged bond-orientational order parameter, Soft Matter, 2020, 16, 659-667.
◾ Predicting diffusion behavior of disperse dyes in polyester fibers by a method based on extraction, The Journal of Supercritical Fluids, 2020, 157, 104685.
◾ Effects of dye particle size and dissolution rate on the overall dye uptake in supercritical dyeing process, The Journal of Supercritical Fluids, 2019, 151, 1-7.
◾ Driving Conformational Transitions in the Feature Space of Autoencoder Neural Network, The Journal of Physical Chemistry C, 2018, 122, 40, 23224-23229.
◾ Prediction of the Crystal Morphology of β-HMX using a Generalized Interfacial Structure Analysis Model, Crystal Growth & Design, 2018, 18, 2349-2357.
◾ Interfacial Structure Analysis for the Morphology Prediction of Adipic Acid Crystals from Aqueous Solution, Crystal Growth & Design, 2017, 17, 1088-1095.
◾ Effect of hydrothermal processing on ginseng extract, Journal of Ginseng Research, 2017, 41, 572-577.
◾ Effect of compressed liquid CO2 antisolvent treatment on the synthesis of hierarchically porous nanocarbon from kraft ligin, The Journal of Supercritical Fluids, 2016, 123, 1-10.
◾ Extension of Hansen solubility parameter concept to the micronization of cyclotrimethyl-enetrinitramine crystals by supercritical anti-solvent process, The Journal of Supercritical Fluids, 2016, 111, 112-120.
◾ One pot synthesis of environmentally friendly lignin nanoparticles with compressed liquid carbon dioxide as an antisolvent, Green Chemistry, 2016, 18, 2129-2146.
◾ Tetracycline nanoparticles precipitation using supercritical and liquid CO2 as antisolvents, The Journal of Supercritical Fluids, 2016, 107, 51-60.
◾ Batch-Wise Nonlinear Model Predictive Control of a Gas Antisolvent Recrystallization Process for the Uniform Production of Micronized HMX with Carbon Dioxide as the Antisolvent, Industrial & Engineering Chemistry Research, 2015, 54, 11894-11902.
◾ Optimal Design of a Gas Antisolvent Recrystallization Process of Cyclotetramethyle-netetranitramine (HMX) with Particle Size Distribution Model, Industrial & Engineering Chemistry Research, 2015, 54, 11087-11096.
◾ 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