Welcome to the Mathematica™ for Chemistry respository. This site houses notebooks, packages, and related materials that Prof. Kevin Ausman has been developing to facilitate the use of Mathematica™ to solve mathematically-intensive problems in chemistry, with an emphasis on physical chemistry and analytical chemistry. These packages were developed under the support of the National Science Foundation, Award CHE-1522036, “CAREER: Aqueous Fullerene Colloids.” These packages and this website are a work-in-progress. The initial uploads will focus on some general purpose chemistry-related materials, specifically focusing on notation, stoichiometry, complex equilibria, and chemical kinetics. Following those initial uploads will be materials focusing on quantum mechanics and statistical thermodynamics.
Mathematica™: The premier software package for symbolically and numerically solving mathematical problems. This package is available for student and faculty use at many universities through site licences.
ChemistryPackage now has a sophisticated approach to handle complex equilibria problems. Imagine that you want to know what is going to happen to an aqueous sample to which you add calcium hydroxide, but where you are taking into account dissolved carbon dioxide and the potential precipitation of calcium carbonate. This system involves seven simultaneous equilibra… Read more
I am a physical chemist with expertise in engineered nanoparticles, health and environmental impacts of emerging technologies, molecular photophysics, and advanced materials.
2006-2014: Assistant Professor, Department of Chemistry, Oklahoma State University
2001-2006: Executive Director, Center for Biological and Environmental Nanotechnology, Rice University
2000-2001: Postdoctoral Research Associate, Center for Nanoscale Science and Technology, Rice University; Research Director: Nobel Prize winner Richard Smalley
1998-2000: Postdoctoral Research Associate, Laboratory for the Study of Novel Carbon Materials, Washington University in St. Louis; Research Director: Rodney Ruoff
1993-1998: Graduate Student, Department of Chemistry, Rice University; Research Director: R. Bruce Weisman
1997: Instructor, General Chemistry, Rice University
1989-1993: Undergraduate Student, Rice University