Subsystem functionals and the missing ingredient of confinement physics in density functionals

by Hao, Feng, Armiento, Rickard R., Mattsson, Ann E.
Published 2011

Screening for high-performance piezoelectrics using high-throughput density functional theory

by Armiento, Rickard R., Kozinsky, Boris, Fornari, Marco, Ceder, Gerbrand
Published 2011

High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

by Armiento, Rickard R., Kozinsky, Boris, Hautier, Geoffroy, Fornari, Marco, Ceder, Gerbrand
Published 2014

Band structure engineering through orbital interaction for enhanced thermoelectric power factor

by Zhu, Hong, Sun, Wenhao, Armiento, Rickard R., Lazic, Predrag, Ceder, Gerbrand
Published 2014

Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

by Ceder, Gerbrand, Ong, Shyue Ping, Chan, Maria K., Armiento, Rickard R., Chevrier, Vincent L.
Published 2011