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Chemical Engineering & Processing Portal

Programs and Projects
Affect of Partial Charge Calculation Method on Adsorption Thermodynamics

In classical molecular simulations, electrostatic contributions to the potential energy are typically accounted for by assigning partial charges … more

NIST Standard Reference Simulation Website

The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of … more

COMPLETED: Nanoscale Thermal Properties Project

Our goal is to develop measurement techniques to characterize the changes in thermal transport and thermal transition temperatures in polymeric … more

Far-infrared Spectroscopy of Biomolecules

Far-infrared (or terahertz/THz, ca. 25 to 300 micron wavelength) femtosecond pulsed laser and Fourier-transform infrared methods are employed to … more

Crystallographic Databases

Components and devices used in a broad spectrum of technology sectors such as health care, communications, energy and electronics are manufactured … more

3D Tissue Scaffolds

Our goal is to develop advanced measurement tools and standards for measuring scaffold properties and their impact on biological response.   more

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