Computation and Theory
ASU students are advancing the theory of fundamental molecular science, combining statistical physics and mechanics with molecular modeling and very large-scale simulations of interfaces, biomolecules and even whole cells! Ab initio and computer modeling methods are being used to design new materials, and define quantum electronic and magnetic effects in molecular, solid-state and biological structures for application in electronics and photonics.
Computational Solid State Chemistry, Semiconductor Simulation, Vibrational and Optical Properties of Solids, Physisorption, Carbon Sequestration
Molecular modeling, biomolecular interactions and solvation, intermolecular vibrations, molecular crowding, complex formation and self-assembly
Theoretical chemistry, condensed media, optical spectroscopy, electron transfer, proteins, phase and glass transition
Theoretical chemistry, nanoscience, electron transfer, molecular conductance, nanomagnetism, chirality
Bacterial dynamics Single molecule Spectroscopy and Imaging analysis Stochastic processes Bayesian inference
Molecular dynamics simulations, Cryo-electron microscopy, X-ray crystallography, hybrid modeling
Coarse-grained modeling of DNA and RNA with applications to DNA/RNA nanotechnology, RNA folding, Molecular simulations to study properties of DNA and RNA in vivo and in vitro, Applications of statistical physics modeling to complex systems
Experimental quantum biosensing; biophysics and protein sciences; diamond material; NMR; microscopy