Resultats de la cerca - Alexander V. Shapeev

Automated optimization and uncertainty quantification of convergence parameters in plane wave density functional theory calculations per Jan Janssen, Edgar Makarov, Tilmann Hickel, Alexander V. Shapeev, Jörg Neugebauer

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Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning per Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi, Timon Rabczuk, Alexander V. Shapeev, Xiaoying Zhuang

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Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe–Al per Alexey S. Kotykhov, Konstantin Gubaev, Max Hodapp, Christian Tantardini, Alexander V. Shapeev, Ivan S. Novikov

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Elinvar effect in β-Ti simulated by on-the-fly trained moment tensor potential per Alexander V Shapeev, Evgeny V Podryabinkin, Konstantin Gubaev, Ferenc Tasnádi, Igor A Abrikosov

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Machine-learned interatomic potentials for alloys and alloy phase diagrams per Conrad W. Rosenbrock, Konstantin Gubaev, Alexander V. Shapeev, Livia B. Pártay, Noam Bernstein, Gábor Csányi, Gus L. W. Hart

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Machine learning-driven synthesis of TiZrNbHfTaC5 high-entropy carbide per Alexander Ya. Pak, Vadim Sotskov, Arina A. Gumovskaya, Yuliya Z. Vassilyeva, Zhanar S. Bolatova, Yulia A. Kvashnina, Gennady Ya. Mamontov, Alexander V. Shapeev, Alexander G. Kvashnin

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