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Marco Fornari
Marco Fornari
Department of Physics, Central Michigan University
Verified email at cmich.edu - Homepage
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Year
The 2019 materials by design roadmap
K Alberi, MB Nardelli, A Zakutayev, L Mitas, S Curtarolo, A Jain, M Fornari, ...
Journal of Physics D: Applied Physics 52 (1), 013001, 2018
3242018
The AFLOW standard for high-throughput materials science calculations
CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ...
Computational Materials Science 108, 233-238, 2015
3002015
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
G Pizzi, D Volja, B Kozinsky, M Fornari, N Marzari
Computer Physics Communications 185 (1), 422-429, 2014
2812014
Band degeneracy, low thermal conductivity, and high thermoelectric figure of merit in SnTe–CaTe alloys
R Al Rahal Al Orabi, NA Mecholsky, J Hwang, W Kim, JS Rhyee, D Wee, ...
Chemistry of Materials 28 (1), 376-384, 2016
2662016
Screening for high-performance piezoelectrics using high-throughput density functional theory
R Armiento, B Kozinsky, M Fornari, G Ceder
Physical Review B 84 (1), 014103, 2011
1642011
Machine learning the voltage of electrode materials in metal-ion batteries
RP Joshi, J Eickholt, L Li, M Fornari, V Barone, JE Peralta
ACS applied materials & interfaces 11 (20), 18494-18503, 2019
1272019
Possible coexistence of rotational and ferroelectric lattice distortions in rhombohedral PbZr x Ti 1− x O 3
M Fornari, DJ Singh
Physical Review B 63 (9), 092101, 2001
1212001
Interplay between A-site and B-site driven instabilities in perovskites
M Ghita, M Fornari, DJ Singh, SV Halilov
Physical Review B 72 (5), 054114, 2005
1162005
High-performance thermoelectric bulk colusite by process controlled structural disordering
C Bourges, Y Bouyrie, AR Supka, R Al Rahal Al Orabi, P Lemoine, ...
Journal of the American Chemical Society 140 (6), 2186-2195, 2018
1142018
PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including …
MB Nardelli, FT Cerasoli, M Costa, S Curtarolo, R De Gennaro, M Fornari, ...
Computational Materials Science 143, 462-472, 2018
942018
Ultralow lattice thermal conductivity and enhanced thermoelectric performance in SnTe: Ga materials
R Al Rahal Al Orabi, J Hwang, CC Lin, R Gautier, B Fontaine, W Kim, ...
Chemistry of Materials 29 (2), 612-620, 2017
922017
Electronic structure and thermoelectric prospects of phosphide skutterudites
M Fornari, DJ Singh
Physical Review B 59 (15), 9722, 1999
921999
Effects of filling in CoSb 3: Local structure, band gap, and phonons from first principles
D Wee, B Kozinsky, N Marzari, M Fornari
Physical Review B 81 (4), 045204, 2010
882010
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
852021
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ...
Computational Materials Science 136, 76-84, 2017
852017
The role of copper in the thermal conductivity of thermoelectric oxychalcogenides: do lone pairs matter?
P Vaqueiro, RAR Al Orabi, SDN Luu, G Guelou, AV Powell, RI Smith, ...
Physical Chemistry Chemical Physics 17 (47), 31735-31740, 2015
842015
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
JJ Plata, P Nath, D Usanmaz, J Carrete, C Toher, M de Jong, M Asta, ...
npj Computational Materials 3 (1), 45, 2017
792017
Theory of band warping and its effects on thermoelectronic transport properties
NA Mecholsky, L Resca, IL Pegg, M Fornari
Physical Review B 89 (15), 155131, 2014
762014
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
C Toher, C Oses, JJ Plata, D Hicks, F Rose, O Levy, M de Jong, M Asta, ...
Physical Review Materials 1 (1), 015401, 2017
752017
Improved predictions of the physical properties of Zn-and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional
P Gopal, M Fornari, S Curtarolo, LA Agapito, LSI Liyanage, MB Nardelli
Physical Review B 91 (24), 245202, 2015
732015
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