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Journal of Chemical Theory and Computation|October 19, 2023
Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable PhasesBusheng Wang, Katerina P Hilleke, Samad Hajinazar, et al.The Journal of Physical Chemistry Letters|May 29, 2024
Superconductivity in Dilute Hydrides of Ammonia under PressureXiaoyu Wang, Nisha Geng, Kyla de Villa, et al.Journal of the American Chemical Society|December 4, 2024
Al2B12C with High Ambipolar Mobility Driven by a Unique B-C FrameworkShicong Ding, Sheng Wang, Yong Liu, et al.Angewandte Chemie (International Ed. in English)|October 11, 2024
Why Mg2IrH6 Is Predicted to Be a High-Temperature Superconductor, But Ca2IrH6 Is NotXiaoyu Wang, Warren E Pickett, Michael Hutcheon, et al.The Journal of Antimicrobial Chemotherapy|March 15, 2008
Principles of assessing bacterial susceptibility to antibiotics using the agar diffusion methodBoyan Bonev, James Hooper, Judicaël ParisotNano Letters|October 6, 2025
Single-Layer Clathrane: A Potential Superconducting Two-Dimensional Hydrogenated Metal BorocarbideXiaoyu Wang, Warren E Pickett, Matthew N Julian, et al.Proceedings of the National Academy of Sciences of the United States of America|October 7, 2009
A little bit of lithium does a lot for hydrogenEva Zurek, Roald Hoffmann, N W Ashcroft, et al.Angewandte Chemie (International Ed. in English)|June 8, 2022
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient PressureXiaoyu Wang, Davide M Proserpio, Corey Oses, et al.Analytical Chemistry|January 8, 2015
Identification of polybrominated diphenyl ether metabolites based on calculated boiling points from COSMO-RS, experimental retention times, and mass spectral fragmentation patternsScott Simpson, Michael S Gross, James R Olson, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 6, 2026
Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense HydrogenXiaoyu Wang, Miriam Marqués, Sergio Gómez, et al.Pageof 15