Groups

Lillian Chong Areas of Research: Biomolecular simulation; rare-event sampling	Rob Coalson Areas of Research: Ion transport in biological ion channels	Geoff Hutchison Areas of Research: Electronic materials; cheminformatics
Ken Jordan Areas of Research: Accommodation of protons and electrons in water; quantum Monte Carlo simulations	Daniel Lambrecht Areas of Research: Reduced-scaling electronic structure approaches; functional materials	Peng Liu Areas of Research: Organic and organometallic reaction mechanisms; transition metal catalysis

Other Groups Engaged in Computational Chemistry on Campus

The Chemical and Petroleum Engineering Department has five groups engaged in computational chemistry research.

The Department of Computational and Systems Biology in the Medical School also has groups part of whose research has a significant computational chemistry component.

There are also several Theoretical & Computational Chemistry groups at Pittsburgh's two other major universities - Carnegie Mellon University and Duquesne University - as well as at the DOE National Energy Technology Laboratory (NETL) just outside the city.

Groups

Lillian Chong

Areas of Research:

Biomolecular simulation; rare-event sampling

Rob Coalson

Areas of Research:

Ion transport in biological ion channels

Geoff Hutchison

Areas of Research:

Electronic materials; cheminformatics

Ken Jordan

Areas of Research:

Accommodation of protons and electrons in water; quantum Monte Carlo simulations

Daniel Lambrecht

Areas of Research:

Reduced-scaling electronic structure approaches; functional materials

Peng Liu

Areas of Research:

Organic and organometallic reaction mechanisms; transition metal catalysis

Other Groups Engaged in Computational Chemistry on Campus