Shuyang Yang

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Citations	460	450
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Noa MaromAssociate Professor, Materials Science and Engineering, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
Chunzhi WuCarnegie Mellon UniversityVerified email at andrew.cmu.edu
Derek DardzinskiPhD Student in Materials Science, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
Saeed MoayedpourPh.D. Student of Computational Chemistry, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
Maituo YuCarnegie Mellon UniversityVerified email at andrew.cmu.edu
Georg W. WinklerSenior Researcher, Microsoft Station QVerified email at microsoft.com
Jiawei ZhanUniversity of ChicagoVerified email at uchicago.edu
Imanuel BierPhD and NSF GRFP Fellow, Carngie Mellon UniversityVerified email at andrew.cmu.edu
Dmitry PikulinSenior Researcher, Microsoft Station QVerified email at microsoft.com
Dominik GreschVerified email at greschd.ch
Niels B. M. SchröterUniversity of Oxford, Paul Scherrer Institute, Max Planck Institute for Microstructure PhysicsVerified email at mpi-halle.mpg.de
Jan GukelbergerMicrosoft ResearchVerified email at microsoft.com
Roman M. LutchynPartner Research Manager at Microsoft QuantumVerified email at microsoft.com

Shuyang Yang

Carnegie Mellon University

Verified email at alumni.cmu.edu

Computational Materials Density Functional Theory Surface Science Machine Learning Bayesian Optimization


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Ultrathin Co₃O₄ Layers Realizing Optimized CO₂ Electroreduction to Formate S Gao, X Jiao, Z Sun, W Zhang, Y Sun, C Wang, Q Hu, X Zu, F Yang, ... Angewandte Chemie International Edition 55 (2), 698-702, 2016	382	2016
Machine learning the Hubbard U parameter in DFT+ U using Bayesian optimization M Yu, S Yang, C Wu, N Marom npj Computational Materials 6 (1), 1-6, 2020	29	2020
Topological properties of SnSe/EuS and SnTe/CaTe interfaces S Yang, C Wu, N Marom Physical Review Materials 4 (3), 034203, 2020	14	2020
Ogre: A python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction S Yang, I Bier, W Wen, J Zhan, S Moayedpour, N Marom The Journal of Chemical Physics 152 (24), 244122, 2020	11	2020
First principles feasibility assessment of a topological insulator at the InAs/GaSb interface S Yang, D Dardzinski, A Hwang, DI Pikulin, GW Winkler, N Marom Physical Review Materials 5 (8), 084204, 2021	8	2021
Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle‐Resolved Photoemission Spectroscopy S Yang, NBM Schröter, VN Strocov, S Schuwalow, M Rajpalk, K Ohtani, ... Advanced Quantum Technologies 5 (3), 2100033, 2022	6	2022
Structure Prediction of Epitaxial Inorganic Interfaces by Lattice and Surface Matching with Ogre S Moayedpour, D Dardzinski, S Yang, A Hwang, N Marom The Journal of Chemical Physics 155 (3), 034111, 2021	5	2021
Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration M Yu, S Moayedpour, S Yang, D Dardzinski, C Wu, VS Pribiag, N Marom Physical Review Materials 5 (6), 064606, 2021	5	2021
First-principles feasibility assessment of a topological insulator at the InAs/GaSb interface D Dardzinski, S Yang, A Hwang, D Pikulin, G Winkler, N Marom Bulletin of the American Physical Society, 2022		2022

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