RESEARCH PAPER · Physical Review Materials · 2021
Automated coordination corrected enthalpies with AFLOW-CCE
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Correction methods for first-principles calculations of the solution enthalpy of gases and compounds in liquid metals
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Nano Letters · 2022-01-20
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Journal of Magnetism and Magnetic Materials · 2022-04-20
Guoliang Yu, Taimin Cheng, Xinxin Zhang
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Computational Materials Science · 2022-10-17
Marco Esters, Corey Oses, Simon Divilov, Hagen Eckert, Rico Friedrich, David Hicks, Michael J. Mehl, Frisco Rose, Andriy Smolyanyuk, Arrigo Calzolari, Xiomara Campilongo, Cormac Toher, Stefano Curtarolo
Read original paper ↗ ·aflow++: A C++ framework for autonomous materials design
Computational Materials Science · 2022-11-16
Corey Oses, Marco Esters, David Hicks, Simon Divilov, Hagen Eckert, Rico Friedrich, Michael J. Mehl, Andriy Smolyanyuk, Xiomara Campilongo, Axel van de Walle, Jan Schroers, Aaron Gilad Kusne, Ichiro Takeuchi, Eva Zurek, Marco Buongiorno Nardelli, Marco Fornari, Yoav Lederer, Ohad Levy, Cormac Toher, Stefano Curtarolo
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Advanced Electronic Materials · 2023-02-14
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Read original paper ↗ ·Advances in data‐assisted high‐throughput computations for material design
Materials Genome Engineering Advances · 2023-09-01
Dingguo Xu, Qiao Zhang, Xiangyu Huo, Yitong Wang, Mingli Yang
Read original paper ↗ ·Python in Chemistry: Physicochemical Tools
Processes · 2023-09-30
Fedor V. Ryzhkov, Yuliya Evgenievna Ryzhkova, Michaïl N. Elinson
Read original paper ↗ ·AFLOW-CCE for the thermodynamics of ionic materials
The Journal of Chemical Physics · 2024-01-26
Rico Friedrich, Stefano Curtarolo
Read original paper ↗ ·AFLOW for Alloys
Journal of Phase Equilibria and Diffusion · 2024-02-09
Cormac Toher, Stefano Curtarolo
Read original paper ↗ ·Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces
Journal of the American Chemical Society · 2024-02-14
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Read original paper ↗ ·Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation
Nano Letters · 2024-03-06
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Read original paper ↗ ·Heavy Atom Cluster Chains with Strong Spin–Orbit Coupling and Magnetic Cations in Mn[PtBi6I12]
Inorganic Chemistry · 2024-12-05
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High Entropy Alloys & Materials · 2025-03-01
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The Journal of Physical Chemistry C · 2026-06-24
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Read original paper ↗ ·High-Throughput Prediction of Exfoliable Non-van der Waals Materials from a Universal Potential
Nature Communications · 2026-08-25
Tom Barnowsky, Carsten Timm, Rico Friedrich
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