Also known as: somewhereville
Computational quantum chemistry molecular nanotechnology the design and simulation of molecules and nanostructures, molecular-based materials for molecular electronics and nonlinear optical materials applications, nanostructures from molecular building blocks and biomimetic principles mechanosynthetic approaches in advanced molecular manufacturing the property prediction of solid-state materials from density functional theoretical approaches inelastic neutron scattering vibrational theory and calculation computational drug design and modeling interaction pathways molecular modeling, vibrational properties, and predictive modeling tools for crystal polymorphism the simulation of internalexternal vibrations and conformational changes observed by terahertz (THz) spectroscopy electronic structure theory of inorganic clusters and organometallic coordination complexes molecular dynamics simulations and reduced model development of DNA-based nanostructures computational design principles, property prediction and evaluation in bioconjugate chemistry molecular mechanicsdynamics force field development extensive background in computer hardware and software, including systems design, administration, security, cluster assembly, parallel computing platforms, national computing facility utilization (NCSA) and distributed computing, maintenance, graphics design, perl, and web development. Specialties Computational chemist with research experience in both quantum chemistry and molecular dynamics simulations. Broad use of theory in multiple specialties resulting in numerous publications in molecular electronics, drug design, spectroscopy, and nanoscience. See httpwww.somewhereville.com for more info.
