Principal Investigator Bernhardt Trout
The Molecular Engineering Laboratory at MIT was founded to develop cutting edge molecular computational methods and apply these methods to address important industrial problems. Thus, a major aspect of the work in the Trout Group involves new molecular computational approaches based on statistical mechanics and quantum mechanics. We are pursuing a number of new approaches to find reaction coordinates in complex systems, including the ones described above.
We are also collaborating with Professor Martin Karplus, Department of Chemistry, Harvard University, Prof. Eric Vanden-Eijnden, Department of Mathematics and the Courant Institute at NYU and Prof. Giovanni Ciccotti, Department of Physics, University of Rome “La Sapienza.”