University of Pittsburgh

Location:

200 Lothrop StreetPittsburghPennsylvania15213United States View Map

Employees:

12,646

SIC Codes:

8221

NAICS Codes:

611310

Phone:

(412) 647-2100

Website:

www.pitt.edu

Fax:

(412) 383-5267
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Description:

We are a theoretical & computational chemistry group at the University of Pittsburgh. We develop and apply electronic structure approaches to help guide discoveries in catalysis, spectroscopy, and materials chemistry. Our research areas include: (1) Developing reduced-scaling first principles approaches for expedited predictions of molecular and materials properties, (2) energy decomposition approaches to split infrared and other spectral signatures into chemically meaningful contributions and to facilitate force field development, (3) simulating paramagnetic resonance spectra to identify the structures of metal binding sites in biological systems, and (4) metal nanoparticles (optical excitation and catalysis). We are members of the Pittsburgh Quantum Institute (PQI).

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