Rebecca Carlson Email & Phone Number

I help small businesses and non-profits use and understand their data to make decisions by employing data science and data analytics techniques.

As a scientific researcher, I developed new density functional theory tight-binding (DFTB) parameters for uranium chemistry to be used for molecular dynamics simulations in solution. The DFTB model was used for nanosecond quantum molecular dynamics simulations. In addition to research, I advised group members on publication development to ensure technically complex information was explained clearly and coached undergraduate students in physical chemistry concepts, resulting in two… Show more As a scientific researcher, I developed new density functional theory tight-binding (DFTB) parameters for uranium chemistry to be used for molecular dynamics simulations in solution. The DFTB model was used for nanosecond quantum molecular dynamics simulations. In addition to research, I advised group members on publication development to ensure technically complex information was explained clearly and coached undergraduate students in physical chemistry concepts, resulting in two students passing national physical chemistry exams required for entry into graduate programs. Show less

As a graduate student, I developed multiconfigurational pair density functional theory (MC-PDFT) and used scientific technical computing software to answer questions in the field of quantum chemistry, particularly relating to bonding in complexes with transition metals. Used computational techniques to model problems related to catalysis of materials .I developed and programmed the fully translated on-top density functional in the Molcas program package for MC-PDFT method that has… Show more As a graduate student, I developed multiconfigurational pair density functional theory (MC-PDFT) and used scientific technical computing software to answer questions in the field of quantum chemistry, particularly relating to bonding in complexes with transition metals. Used computational techniques to model problems related to catalysis of materials .I developed and programmed the fully translated on-top density functional in the Molcas program package for MC-PDFT method that has received over 300 combined citations for the original JCTC paper and Acc. of Chem. Res. review article. Along with developing and testing MC-PDFT, I generated drafts of user documentation of MC-PDFT for the Molcas manual that explains keywords and features of method to new users. Show less

Optimized surface coating for solar cells and tested efficiency using various experimental techniques.

Phd, Computational And Theoretical Chemistry

Bachelor Of Science - Bs, Chemistry