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Matminer: An open source toolkit for materials data mining
Ward, Logan, Dunn, Alexander, Faghaninia, Alireza, Zimmermann, Nils E.R., Bajaj, Saurabh, Wang, Qi, Montoya, Joseph, Chen, Jiming, Bystrom, Kyle, Dylla, Maxwell, Chard, Kyle, Asta, Mark, Persson, Kristin A., Snyder, G. Jeffrey, Foster, Ian, Jain, Anubhav
Published in Computational materials science (01.09.2018)
Published in Computational materials science (01.09.2018)
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DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale
Roters, F., Diehl, M., Shanthraj, P., Eisenlohr, P., Reuber, C., Wong, S.L., Maiti, T., Ebrahimi, A., Hochrainer, T., Fabritius, H.-O., Nikolov, S., Friák, M., Fujita, N., Grilli, N., Janssens, K.G.F., Jia, N., Kok, P.J.J., Ma, D., Meier, F., Werner, E., Stricker, M., Weygand, D., Raabe, D.
Published in Computational materials science (15.02.2019)
Published in Computational materials science (15.02.2019)
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Band structure diagram paths based on crystallography
Hinuma, Yoyo, Pizzi, Giovanni, Kumagai, Yu, Oba, Fumiyasu, Tanaka, Isao
Published in Computational materials science (15.02.2017)
Published in Computational materials science (15.02.2017)
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Polymer design using genetic algorithm and machine learning
Kim, Chiho, Batra, Rohit, Chen, Lihua, Tran, Huan, Ramprasad, Rampi
Published in Computational materials science (01.01.2021)
Published in Computational materials science (01.01.2021)
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Active learning of linearly parametrized interatomic potentials
Podryabinkin, Evgeny V., Shapeev, Alexander V.
Published in Computational materials science (01.12.2017)
Published in Computational materials science (01.12.2017)
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Deep learning approaches for mining structure-property linkages in high contrast composites from simulation datasets
Yang, Zijiang, Yabansu, Yuksel C., Al-Bahrani, Reda, Liao, Wei-keng, Choudhary, Alok N., Kalidindi, Surya R., Agrawal, Ankit
Published in Computational materials science (01.08.2018)
Published in Computational materials science (01.08.2018)
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Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Mathew, Kiran, Montoya, Joseph H., Faghaninia, Alireza, Dwarakanath, Shyam, Aykol, Muratahan, Tang, Hanmei, Chu, Iek-heng, Smidt, Tess, Bocklund, Brandon, Horton, Matthew, Dagdelen, John, Wood, Brandon, Liu, Zi-Kui, Neaton, Jeffrey, Ong, Shyue Ping, Persson, Kristin, Jain, Anubhav
Published in Computational materials science (01.11.2017)
Published in Computational materials science (01.11.2017)
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Enhancing property prediction and process optimization in building materials through machine learning: A review
Stergiou, Konstantinos, Ntakolia, Charis, Varytis, Paris, Koumoulos, Elias, Karlsson, Patrik, Moustakidis, Serafeim
Published in Computational materials science (05.03.2023)
Published in Computational materials science (05.03.2023)
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AiiDA: automated interactive infrastructure and database for computational science
Pizzi, Giovanni, Cepellotti, Andrea, Sabatini, Riccardo, Marzari, Nicola, Kozinsky, Boris
Published in Computational materials science (01.01.2016)
Published in Computational materials science (01.01.2016)
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Pseudopotentials for high-throughput DFT calculations
Garrity, Kevin F., Bennett, Joseph W., Rabe, Karin M., Vanderbilt, David
Published in Computational materials science (01.01.2014)
Published in Computational materials science (01.01.2014)
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The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principle
Zhou, Y., Zhang, Y.K., Yang, Q., Jiang, J., Fan, P., Liao, M., Zhou, Y.C.
Published in Computational materials science (01.09.2019)
Published in Computational materials science (01.09.2019)
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