Postdoctoral, Graduate, and Undergraduate Students in the Auerbach Group

Research in the Auerbach group is focused on modeling zeolites (crystalline aluminosilicates with nanometer-scale pores the size of small molecules) and other acid/base catalysts. We have particular interest in proton transfer reactions in zeolites and polymers, base-catalyzed reactions in zeolites, the reaction of zeolites with ammonia, and the interaction of zeolites and any guest molecules inside them with microwave radiation.

The group studies the aforementioned phenomena by a combination of molecular simulation techniques and electronic structure calculations. We employ molecular dynamics and Monte Carlo in various statistical ensembles, and computational quantum chemistry of both cluster and periodic models.

Post-doctoral Fellows

• Dr. Eric Germaneau [zeolite growth and stability]

Graduate Students

• Usha Viswanathan [proton transfer reactions in zeolites and polymers]
• Vishal Agarwal [kinetics of nitrogen substitution in zeolites]
• Julián Santander [microwave simulation of zeolites and cellulose]
• Lin Jin [zeolite growth and stability]
• Jacob Harvey [proton transfer reactions in polymers]

Undergraduate Students

Recent Alumni

• Tinuke Adeyemi (B.S., chemical engineering, UMass, 2010)
• Karl Hammond (Ph.D., chemical engineering, UMass, 2010) [zeolite characterization and transport phenomena; computational spectroscopy; nitrogen substitution in zeolites]
• Tyler Jordison (2009)
• Inara Colón (2009)
• Rachel Shirron (B.S., chemistry, Gordon College, anticipated 2010) [dynamics of molecules in zeolites]
• Julia Kumpf (B.S., chemistry and B.A., physics, UMass, 2008) [proton transfer reactions in polymers]
• Gabriel Cerriotti (B.S., chemistry, Hampshire College, 2007) [proton transfer reactions in polymers]
• Autumn Brown (B.S., chemistry, Gordon College, 2009) [computational spectroscopy]
• Daniel Stapleton (B.S., chemical engineering, UMass, 2007) [heat transfer in microwave-heated zeolites]
• Leanna Toy (B.S., chemistry, UMass, 2006) [proton transfer in zeolites]
• Aldo Combariza (M.S., chemistry, UMass, 2006) [microwave heating of zeolites and adsorbates]
• David Medeiros (B.S., chemical engineering, UMass, 2006) [heat transfer in microwave-heated zeolites]
• Carlos Benitez (B.S., chemical engineering, UMass, 2006) [heat transfer in microwave-heated zeolites]
• Matthew Ford (Ph.D., chemical engineering, UMass, 2006) [zeolite growth and stability]
• Ethan Sullivan (B.S., chemistry, UMass, 2005) [microwave heating of zeolites]
• Sudin Bhattacharya (postdoctoral fellow) [zeolite growth and stability]
• Miguel Jorge (postdoctoral fellow) [zeolite growth and stability]