People
Current group members and visitors
Andrew DeYoung
Molecular Dynamics study of supercapacitors and pseudocapacitors based on ionic liquids and organic electrolytes.
Nilesh Dhumal
Ab initio calculations of ion pair interactions. Computer simulations of room-temperature ionic liquids and their mixtures with polar solvents.
Hyunjin Kim
Computer simulations of multi-domain proteins. Calculations of solubility of small molecules in organic solvents and ionic liquids.
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
