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Proceedings of the National Academy of Sciences - PNAS, ISSN 0027-8424, 11/2013, Volume 110, Issue 46, pp. 18368 - 18373
Journal Article
Reviews of modern physics, ISSN 1539-0756, 06/2012, Volume 84, Issue 2, pp. 945 - 986
Most metallic elements have a crystal structure that is either body-centered cubic (bcc), face-centered close packed, or hexagonal close packed. If the bcc... 
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology | Measurement | Thermal properties | Polarization (Electricity) | Usage | Stress-strain curves | Analysis | Phonons | Elasticity | Mechanical properties | Gibbs' free energy
Journal Article
Chemistry of materials, ISSN 0897-4756, 06/2014, Volume 26, Issue 11, pp. 3427 - 3435
We study the phase stability and predict as-yet-unreported compounds in the thermoelectric Cu–Sb–Se ternary system. We use a combination of total energies... 
Physical Sciences | Chemistry | Materials Science | Technology | Materials Science, Multidisciplinary | Chemistry, Physical | Science & Technology
Journal Article
Accounts of chemical research, ISSN 0001-4842, 05/2013, Volume 46, Issue 5, pp. 1084 - 1093
Electrochemical supercapacitors (ECs) have important applications in areas wherethe need for fast charging rates and high energy density intersect, including... 
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Heterogeneous catalysis | Usage | Ruthenium | Density functionals | Atomic properties | Research | Chemical properties | Properties | Electrolytic capacitors | Electrodes | Charging | Capacitors | Supercapacitors | Electronics | Energy density | Devices | Intercalation
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1098-0121, 10/2013, Volume 88, Issue 15
Long-standing challenges in cluster expansion (CE) construction include choosing how to truncate the expansion and which crystal structures to use for... 
Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics, Condensed Matter | Physics | Science & Technology | Physics, Applied | Construction | Condensed matter | Evolutionary | Clusters | Tools | Mathematical models | Detection | Bayesian analysis | Physics - Materials Science
Journal Article
Physical review letters, ISSN 1079-7114, 07/2016, Volume 117, Issue 4, pp. 046602 - 046602
Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with... 
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology | Screening | Semiconductors | Thermal conductivity | Noble metals | Power factor | Lead (metal) | Thermoelectricity | Heat transfer | Physics - Materials Science
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1098-0121, 02/2012, Volume 85, Issue 5
Journal Article