Materials Cloud, a platform for open computational science von Talirz, Leopold, Kumbhar, Snehal, Passaro, Elsa, Yakutovich, Aliaksandr V., Granata, Valeria, Gargiulo, Fernando, Borelli, Marco, Uhrin, Martin, Huber, Sebastiaan P., Zoupanos, Spyros, Adorf, Carl S., Andersen, Casper Welzel, Schütt, Ole, Pignedoli, Carlo A., Passerone, Daniele, VandeVondele, Joost, Schulthess, Thomas C., Smit, Berend, Pizzi, Giovanni, Marzari, Nicola

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AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance von Huber, Sebastiaan P., Zoupanos, Spyros, Uhrin, Martin, Talirz, Leopold, Kahle, Leonid, Häuselmann, Rico, Gresch, Dominik, Müller, Tiziano, Yakutovich, Aliaksandr V., Andersen, Casper W., Ramirez, Francisco F., Adorf, Carl S., Gargiulo, Fernando, Kumbhar, Snehal, Passaro, Elsa, Johnston, Conrad, Merkys, Andrius, Cepellotti, Andrea, Mounet, Nicolas, Marzari, Nicola, Kozinsky, Boris, Pizzi, Giovanni

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Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows von Uhrin, Martin, Huber, Sebastiaan P., Yu, Jusong, Marzari, Nicola, Pizzi, Giovanni

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P., Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Rignanese, Gian-Marco, Sewell, Christopher J., Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V., Zadoks, Austin, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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Workflow Engineering in Materials Design within the BATTERY 2030+ Project von Schaarschmidt, Joerg, Yuan, Jie, Strunk, Timo, Kondov, Ivan, Huber, Sebastiaan P., Pizzi, Giovanni, Kahle, Leonid, Bölle, Felix T., Castelli, Ivano E., Vegge, Tejs, Hanke, Felix, Hickel, Tilmann, Neugebauer, Jörg, Rêgo, Celso R. C., Wenzel, Wolfgang

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A bridge between trust and control: computational workflows meet automated battery cycling von Kraus, Peter, Bainglass, Edan, Ramirez, Francisco F, Svaluto-Ferro, Enea, Ercole, Loris, Kunz, Benjamin, Huber, Sebastiaan P, Plainpan, Nukorn, Marzari, Nicola, Battaglia, Corsin, Pizzi, Giovanni

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Virtual Computational Chemistry Teaching LaboratoriesHands-On at a Distance von Kobayashi, Rika, Goumans, Theodorus P. M, Carstensen, N. Ole, Soini, Thomas M, Marzari, Nicola, Timrov, Iurii, Poncé, Samuel, Linscott, Edward B, Sewell, Christopher J, Pizzi, Giovanni, Ramirez, Francisco, Bercx, Marnik, Huber, Sebastiaan P, Adorf, Carl S, Talirz, Leopold

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Automated reproducible workflows and data provenance with AiiDA von Huber, Sebastiaan P.

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows von Bosoni, Emanuele, Beal, Louis, Bercx, Marnik, Blaha, Peter, Blügel, Stefan, Bröder, Jens, Callsen, Martin, Cottenier, Stefaan, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Fornari, Marco, Garcia, Alberto, Genovese, Luigi, Giantomassi, Matteo, Huber, Sebastiaan P., Janssen, Henning, Kastlunger, Georg, Krack, Matthias, Kresse, Georg, Kühne, Thomas D., Lejaeghere, Kurt, Madsen, Georg K. H., Marsman, Martijn, Marzari, Nicola, Michalicek, Gregor, Mirhosseini, Hossein, Müller, Tiziano M. A., Petretto, Guido, Pickard, Chris J., Poncé, Samuel, Rignanese, Gian-Marco, Rubel, Oleg, Ruh, Thomas, Sluydts, Michael, Vanpoucke, Danny E. P., Vijay, Sudarshan, Wolloch, Michael, Wortmann, Daniel, Yakutovich, Aliaksandr V., Yu, Jusong, Zadoks, Austin, Zhu, Bonan, Pizzi, Giovanni

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AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance von Huber, Sebastiaan P, Zoupanos, Spyros, Uhrin, Martin, Talirz, Leopold, Kahle, Leonid, Häuselmann, Rico, Gresch, Dominik, Müller, Tiziano, Yakutovich, Aliaksandr V, Andersen, Casper W, Ramirez, Francisco F, Adorf, Carl S, Gargiulo, Fernando, Kumbhar, Snehal, Passaro, Elsa, Johnston, Conrad, Merkys, Andrius, Cepellotti, Andrea, Mounet, Nicolas, Marzari, Nicola, Kozinsky, Boris, Pizzi, Giovanni

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P., Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Rignanese, Gian-Marco, Sewell, Christopher J., Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V., Zadoks, Austin, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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kiwiPy: Robust, high-volume, messaging for big-data and computational science workflows von Uhrin, Martin, Huber, Sebastiaan P

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Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows von Uhrin, Martin, Huber, Sebastiaan P, Yu, Jusong, Marzari, Nicola, Pizzi, Giovanni

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows von Bosoni, Emanuele, Beal, Louis, Bercx, Marnik, Blaha, Peter, Blügel, Stefan, Bröder, Jens, Callsen, Martin, Cottenier, Stefaan, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, nari, Marco, Garcia, Alberto, Genovese, Luigi, Giantomassi, Matteo, Huber, Sebastiaan P, Janssen, Henning, Kastlunger, Georg, Krack, Matthias, Kresse, Georg, Kühne, Thomas D, Lejaeghere, Kurt, Madsen, Georg K H, Marsman, Martijn, Marzari, Nicola, Michalicek, Gregor, Mirhosseini, Hossein, Müller, Tiziano M A, Petretto, Guido, Pickard, Chris J, Poncé, Samuel, Gian-Marco Rignanese, Rubel, Oleg, Ruh, Thomas, Sluydts, Michael, Vanpoucke, Danny E P, Sudarshan Vijay, Wolloch, Michael, Wortmann, Daniel, Yakutovich, Aliaksandr V, Yu, Jusong, Austin Zadoks, Zhu, Bonan, Pizzi, Giovanni

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P, Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Gian-Marco Rignanese, Sewell, Christopher J, Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V, Austin Zadoks, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P, Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Rignanese, Gian-Marco, Sewell, Christopher J, Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V, Zadoks, Austin, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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Materials Cloud, a platform for open computational science von Talirz, Leopold, Kumbhar, Snehal, Passaro, Elsa, Yakutovich, Aliaksandr V, Granata, Valeria, Gargiulo, Fernando, Borelli, Marco, Uhrin, Martin, Huber, Sebastiaan P, Zoupanos, Spyros, Adorf, Carl S, Andersen, Casper W, Schütt, Ole, Pignedoli, Carlo A, Passerone, Daniele, VandeVondele, Joost, Schulthess, Thomas C, Smit, Berend, Pizzi, Giovanni, Marzari, Nicola

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P., Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Rignanese, Gian-Marco, Sewell, Christopher J., Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V., Zadoks, Austin, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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Common workflows for computing material properties using different quantum engines von Huber, Sebastiaan P., Bosoni, Emanuele, Bercx, Marnik, Bröder, Jens, Degomme, Augustin, Dikan, Vladimir, Eimre, Kristjan, Flage-Larsen, Espen, Garcia, Alberto, Genovese, Luigi, Gresch, Dominik, Johnston, Conrad, Petretto, Guido, Poncé, Samuel, Rignanese, Gian-Marco, Sewell, Christopher J., Smit, Berend, Tseplyaev, Vasily, Uhrin, Martin, Wortmann, Daniel, Yakutovich, Aliaksandr V., Zadoks, Austin, Zarabadi-Poor, Pezhman, Zhu, Bonan, Marzari, Nicola, Pizzi, Giovanni

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AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance von Huber, Sebastiaan P., Zoupanos, Spyros, Uhrin, Martin, Talirz, Leopold, Kahle, Leonid, Häuselmann, Rico, Gresch, Dominik, Müller, Tiziano, Yakutovich, Aliaksandr V., Andersen, Casper W., Ramirez, Francisco F., Adorf, Carl S., Gargiulo, Fernando, Kumbhar, Snehal, Passaro, Elsa, Johnston, Conrad, Merkys, Andrius, Cepellotti, Andrea, Mounet, Nicolas, Marzari, Nicola, Kozinsky, Boris, Pizzi, Giovanni

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