Abstract: Uncovering the Quantum Mechanical Origins of Enzymatic Catalysis with Systematic QM/MM Methods and Accelerated, Large-Scale Electronic Structure (2018 AIChE Annual Meeting)

Heather J. Kulik¹, Zhongyue Yang¹, Rimsha Mehmood², Mengyi Wang³ and Helena Qi², (1)Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, (2)Chemistry, Massachusetts Institute of Technology, Cambridge, MA, (3)Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA

See more of this Session: Advances in Enzymatic Catalysis II
See more of this Group/Topical: Catalysis and Reaction Engineering Division

528491 Uncovering the Quantum Mechanical Origins of Enzymatic Catalysis with Systematic QM/MM Methods and Accelerated, Large-Scale Electronic Structure