Marco Fornari
- The AFLOW Standard for High-Throughput Materials Science Calculations
2015/05/31 by Camilo E. Calderón, Calderon, Camilo E., José J. Plata +19 · 8 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalytic Processes in Materials Science #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Coordination corrected ab initio formation enthalpies
2018/11/21 by Rico Friedrich, Demet Usanmaz, Friedrich, Rico +13 · 3 citations
Chemistry · Materials Science · #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Advanced modeling of materials with PAOFLOW 2.0: New features and\n software design
2021/07/27 by Frank Cerasoli, Cerasoli, Frank T., Andrew Supka +17 · 4 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Molecular Junctions and Nanostructures
- Improved predictions of the physical properties of Zn- and Cd-based wide\n band-gap semiconductors: a validation of the ACBN0 functional
2015/05/20 by Priya Gopal, Marco Fornari, Gopal, Priya +9 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices #Surface and Thin Film Phenomena
- High-Throughput Prediction of Finite-Temperature Properties using the\n Quasi-Harmonic Approximation
2016/03/22 by Pinku Nath, Nath, Pinku, José J. Plata +13 · 1 citation
Materials Science · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Thermal properties of materials #X-ray Diffraction in Crystallography
- Relaxation time approximations in PAOFLOW 2.0
2021/11/17 by Anooja Jayaraj, Ilaria Siloi, Jayaraj, Anooja +5 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Thermoelectric Materials and Devices #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Surface and Thin Film Phenomena