Center for Complex Materials from First Principles (CCM)

Director

John Perdew

Lead Institution

Temple University

Class

2014-2020; Known as the Center for the Computational Design of Functional Layered Materials (CCDM) from 2014 - 2018.

Mission

To develop, test, apply, and experimentally validate improved methods of electronic structure calculation for both simple and complex materials (including quantum materials).

Research Topics

catalysis (heterogeneous), electrocatalysis, solar (photovoltaic), mechanical behavior, superconductivity, magnetism and spin physics, water, materials and chemistry by design, synthesis (novel materials)

Materials Studied

Materials: semiconductor, metal, oxide, actinide

Interfaces: liquid/solid

Nanostructured Materials: 2D

Experimental and Theoretical Methods

X-ray diffraction and scattering, electron microscopy, scanning probe microscopy, surface science, high-throughput screening methods, molecular dynamics (MD), density functional theory (DFT), multiscale modeling