Physical Chemistry

computer chemistryPhysical chemistry research groups at Florida tech offer a wide range of research opportunities in theoretical and experimental physical chemistry. Specific topics include density functional theory calculations of spin system, including spin dynamics, developing and analyzing new databases, and understanding nanoscale properties of intramolecular interactions and structural dynamics crucial in many biological processes via high spatial and force resolution of scanning probe techniques. 

Peverati Group

Research in Dr. Peverati’s group is in the area of electronic structure theory and consists of two interconnected processes:

  • We teach chemistry to the computer, by designing and implementing new theories into algorithms and computer programs.
  • We use the computer to teach us back something about unknown chemistry.

Applications are in every area of chemistry and include: studying reaction mechanisms in organic chemistry; supporting the development of more efficient analytical chemistry techniques for anti-doping research; designing of improved  photo-responsive caging compound to deliver neurotransmitter to the brain; understanding the evolution of chemical species in the environment and in the universe; etc. 

Some other exciting pilot-projects that our group is currently involved with are on the philosophy of chemistry and computational chemistry (meanings and interpretation of wave function and atomic and molecular orbitals) and on using machine learning for studying complex systems in the origin of thermodynamics and life in the universe.