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Materials in 2020

Jon Evans looks back over materials science in 2020.

16 December 2020Jon Evans

Making solar cells using waste from lead batteries

Muddy deposits of polluting lead in old batteries can be recycled to help generate renewable energy

13 February 2020

Analytical algorithm for Equivalent Crystal Theory

26 July 2018Fredy R. Zypman, John Ferrante

A versatile synthetic approach to design tailor-made push-pull chromophores with intriguing and tunable photophysical signatures

4 July 2018

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

2 June 2017Pinku Nath, Jose J. Plata, Demet Usanmaz, Rabih Al Rahal Al Orabi, Marco Fornari, Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo

AFLOW: An automatic framework for high-throughput materials discovery

2 June 2017Stefano Curtarolo, Wahyu Setyawan, Gus L.W. Hart, Michal Jahnatek, Roman V. Chepulskii, Richard H. Taylor, Shidong Wang, Junkai Xue, Kesong Yang, Ohad Levy, Michael J. Mehl, Harold T. Stokes, Denis O. Demchenko, Dane Morgan

High-throughput electronic band structure calculations: Challenges and tools

2 June 2017Wahyu Setyawan, Stefano Curtarolo

The AFLOW standard for high-throughput materials science calculations

2 June 2017Camilo E. Calderon, Jose J. Plata, Cormac Toher, Corey Oses, Ohad Levy, Marco Fornari, Amir Natan, Michael J. Mehl, Gus Hart, Marco Buongiorno Nardelli, Stefano Curtarolo

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

2 June 2017Richard H. Taylor, Frisco Rose, Cormac Toher, Ohad Levy, Kesong Yang, Marco Buongiorno Nardelli, Stefano Curtarolo

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

2 June 2017Stefano Curtarolo, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson, Gus L.W. Hart, Stefano Sanvito, Marco Buongiorno-Nardelli, Natalio Mingo, Ohad Levy

AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

1 June 2017Andrew R. Supka, Troy E. Lyons, Laalitha Liyanage, Pino D’Amico, Rabih Al Rahal Al Orabi, Sharad Mahatara, Priya Gopal, Cormac Toher, Davide Ceresoli, Arrigo Calzolari, Stefano Curtarolo, Marco Buongiorno Nardelli, Marco Fornari

Fullerite-based nanocomposites with ultrahigh stiffness. Theoretical investigation

Download the full text, here.

18 May 2017Yulia A. Kvashnina, Alexander G. Kvashnin, Leonid A. Chernozatonskii, Pavel B. Sorokin

Automated, high throughput exploration of process–structure–property relationships using the MapReduce paradigm

2 September 2016Olga Wodo, Jaroslaw Zola, Balaji Sesha Sarath Pokuri, Pengfei Du, Baskar Ganapathysubramanian

Formation mechanism of channel segregation in carbon steels by inclusion flotation: X-ray microtomography characterization and multi-phase flow modeling

Download the article, sponsored by Zeiss, now.

29 July 2016Yan Fei Cao, Yun Chen, Dian Zhong Li

Near-Field Radiative Heat Transfer Across Nanometer Vacuum Gaps

Download the first chapter of "Near-Field Radiative Heat Transfer Across Nanometer Vacuum Gaps".

28 July 2016Soumyadipta Basu

Effects of multiple hydrogen absorption/desorption cycles on the mechanical properties of the alloy system palladium/silver (wt% = 10–25)

8 June 2016K. Wald, J. Kubik, D. Paciulli, M. Talukder, J. Nott, F. Massicotte, K. Rebeiz, S. Nesbit, A. Craft

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Computation and theory features

Materials in 2020

Making solar cells using waste from lead batteries

Analytical algorithm for Equivalent Crystal Theory

A versatile synthetic approach to design tailor-made push-pull chromophores with intriguing and tunable photophysical signatures

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

AFLOW: An automatic framework for high-throughput materials discovery

High-throughput electronic band structure calculations: Challenges and tools

The AFLOW standard for high-throughput materials science calculations

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

Fullerite-based nanocomposites with ultrahigh stiffness. Theoretical investigation

Automated, high throughput exploration of process–structure–property relationships using the MapReduce paradigm

Formation mechanism of channel segregation in carbon steels by inclusion flotation: X-ray microtomography characterization and multi-phase flow modeling

Near-Field Radiative Heat Transfer Across Nanometer Vacuum Gaps

Effects of multiple hydrogen absorption/desorption cycles on the mechanical properties of the alloy system palladium/silver (wt% = 10–25)

New phosphor discovery by the single particle diagnosis approach

Revealing graphene oxide toxicity mechanisms: A reactive molecular dynamics study

Combinatorial electrochemistry – Processing and characterization for materials discovery

Multimodal imaging of harmonophores and application of high content imaging for early cancer detection

Features archive…