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Ping Yang

Affiliations: 
Thoeretical Division Los Alamos National Laboratory, Los Alamos, NM, United States 
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"Ping Yang"
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Parents

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Richard L. Martin grad student LANL

Children

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Adam Jaroš grad student 2021-2022 LANL
Nestor F. Aguirre post-doc 2017- LANL

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Publications

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Beltran-Leiva MJ, Batista ER, Yang P. (2025) Unlocking Novel δ and φ Bonding Modes in Actinides via Oxidation State Control. Jacs Au. 5: 1746-1759
Yao S, Wang G, Batista ER, et al. (2025) Defect-Promoted Catalytic Conversion of Carbon Monoxide to Methanol on ThO Surfaces. Acs Applied Materials & Interfaces
Yuan M, Tufekci BA, Xu J, et al. (2025) Structural and Electronic Properties of Anionic (ThO) ( = 2-4) Clusters. Inorganic Chemistry
Burrill DJ, Liu C, Taylor MG, et al. (2025) MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections. Journal of Chemical Theory and Computation
Summers TJ, Taylor MG, Augustine LJ, et al. (2024) On the Importance of Configuration Search to the Predictivity of Lanthanide Selectivity. Jacs Au. 5: 631-641
Augustine LJ, Wang Y, Adelman SL, et al. (2024) Advancing Rare-Earth (4) and Actinide (5) Separation through Machine Learning and Automated High-Throughput Experiments. Acs Sustainable Chemistry & Engineering. 12: 16692-16699
Yuan M, McNeece AJ, Dolgopolova EA, et al. (2024) Photoinduced Isomerization of [N] in a Bimetallic Lutetium Complex. Journal of the American Chemical Society
Liu C, Aguirre NF, Cawkwell MJ, et al. (2024) Efficient Parameterization of Density Functional Tight-Binding for 5-Elements: A Th-O Case Study. Journal of Chemical Theory and Computation
Ehrman JN, Shumilov K, Jenkins AJ, et al. (2024) Unveiling Hidden Shake-Up Features in the Uranyl M-Edge Spectrum. Jacs Au. 4: 1134-1141
Yu Z, Batista ER, Yang P, et al. (2024) Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics. Journal of Chemical Theory and Computation
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