Papers matching “quantum computing simulation” 12
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Common workflows for computing material properties using different quantum engines2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access
Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, +19 more
40citations -
Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations2022 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access
Yazhi Xu, Yuxing Zhou, Xudong Wang, Wei Zhang, Evan Ma, Volker L. Deringer, +1 more
56citations -
Photoluminescence of Fully Inorganic Colloidal Gold Nanocluster and Their Manipulation Using Surface Charge Effects2021 Advanced Materials article Materials Science Nanocluster Synthesis and Applications Open access
Anna Rosa Ziefuß, Torben Steenbock, Dominik Benner, Anton Plech, Jörg Göttlicher, Melissa Teubner, +12 more
44citations -
SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Zekun Lou, Alan M. Lewis, T. Bernhard, Lukas Seifert, Agustín Salcedo, Florian Kleemiss, +2 more
0citations
12 results