People
Current group members and visitors
Hadi Abroshan
Solvation of nanoclusters in ionic liquids. Interfacial properties of ionic liquid mixtures at metal organic frameworks.
Andrew DeYoung
Molecular Dynamics study of supercapacitors and pseudocapacitors based on ionic liquids and organic electrolytes.
Nilesh Dhumal
Ab initio study of ion pair interactions. QM/MM study of ionic liquids in homogeneous and heterogeneous environments.
Hyunjin Kim
Computer simulation study of kidney stone formation and multi-domain proteins. Solubility study of nanoparticles in ionic liquids and organic solvents.
Jiannan Liu
Ab initio and classical MD simulation study of metal oxides in ionic liquids. Development of force fields for sulfonic ionic liquids.
Eric Wu
Joint with the Peteanu group
Spectroscopy and computer simulation study of structural and dynamic heterogeneities in ionic liquids.
Fangyong Yan
Ab initio and classical MD simulations of carbon capture in ionic liquids and organic solvents.
Former group members
Youngseon Shim
MD simulations of chemical and electrochemical processes and related relaxation dynamics in ionic liquids and supercritical water.
Swati Manjari
Construction of continuum solvent theory that incorporates temperature and pressure dependence of electrostriction and its application to electron transfer reactions.
Daun Jeong
Development and application of coarse-grained model descriptions to study glassy behaviors of ionic liquids via MD.
Sudha Dorairaj
Theoretical model study of solvation and excited-state charge transfer in quadrupolar solvents.
Chia-Ning Yang
MD study of dielectric relaxation and photoabsorption of ambient and supercritical water.
Jonggu Jeon
Development of continuum theory for quadrupolar solvents, its implementation via the self-consistent reaction field approach and applications to solvation and charge transfer reactions in solvents like benzene and supercritical CO2.
Badry Bursulaya
Development and application of quantum mechanically polarizable solvent model description to study solvation and linear and nonlinear electronic spectroscopies in water.
Yuri Dakhnovski
Proton transfer in solution.
Past visitors
Prof. Young Sik Kim
Hongik University, Seoul, Korea
Prof. Kunho Kim
Gyeongsang National University, Korea
Prof. Mikhail V. Basilevsky
Karpov Institute of Physical Chemistry, Moscow, Russia
Prof. Benedetta Mennucci
University of Pisa, Italy