Research
Physics-informed neural network models on microbial degradation systems
Self-assemblies of polyelectrolytes and their spatial organization
Self-assembly of Intrinsically disordered proteins (IDPs) forms various spatial organization, and their flexible conformations mediates their interactions with many biomolecules.
Surrogate models for predicting dielectric constants of solvents and solutions
Ensemble neural networks serve as computationally fast surrogate models of molecular dynamics simulations for determining the dielectric constants of polar solvents and NaCl solutions. The predictions of ENNs trained on this small amount of data using machine learning techniques are in relatively good agreement with the ground truth.
Inhibition of lithium dendrite growth in Lithium-ion battery
Lithium dendrites grow during the charging and discharging process in Li-ion batteries. A lattice Monte Carlo simulation based on a diffusion-limited aggregation model is developed and finds that ionic liquids can slow down the dendrite growth by forming an electrostatic shielding effect.