Computational Chemistry Research

Computational Chemistry Research ​​​

Computational chemists use computers to solve chemical problems. Today’s amazing increase in computer capabilities makes it possible to accurately explore the structure and energetic of small molecules, and model the behavior of thousands of atoms to study how a molecule is influenced by a surface. This relatively new field of chemistry can be explored through the use of readily available software, by the creation of new software to implement novel algorithms, or by adapting existing software to exploit new computer hardware (an interesting new direction is the use of graphics processors in place of conventional CPU’s). 


Students can collaborate with Drs. Augspurger and Falcetta on several projects:​


Reactions and Potential Energy Surfaces of Organic Molecules


Structure and Spectroscopy of Oraganometallic Compounds​

​Electronic Structure of Catalytic Surfaces​


Properties of Ions and Ion-Molecule Complexes​

More Information

B.S. in Chemistry

​The Bachelor of Science degree in chemistry prepares students for professional programs, graduate study and employment in chemical research or professional sectors.

Learn More

Related Resources

Recommended resources by the Department of Chemistry faculty at Grove City College

Learn More


After their sophomore and junior years, many students participate in summer internships at a broad spectrum of universities and industrial research laboratories.

Learn More

Current Students

Every student’s story is different, and how you choose to take advantage of the numerous opportunities to learn, grow and flourish is up to you.

Learn More

Summer Research Projects

Take an in-depth look at recent Grove City College student and faculty scholarly work in the Hopeman School of Science, Engineering and Mathematics.​

Learn More

Minor in Chemistry

​​A minor in chemistry requires 24 hours of coursework. This includes a 16-credit hour chemistry core and eight credit hours of electives chosen from approved chemistry courses.

Learn More