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Shyue Ping Ong

Title(s)Professor, Nanoengineering
SchoolVc-academic Affairs
Address9500 Gilman Drive #
La Jolla CA 92093
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    1. Superionic Surface Li-Ion Transport in Carbonaceous Materials. Nano Lett. 2025 Aug 27; 25(34):12876-12883. Zhou J, Wang S, Wu C, Qi J, Wan H, Lai S, Ko TW, Liang Z, Feng S, Zhou K, Harpak N, Liu M, Hui Z, Ai PJ, Liu H, Yan W, Ha Y, Kim MJ, Griffith K, Wang C, Ong SP, Yao Y, Liu P. PMID: 40814793.
      View in: PubMed   Mentions:    Fields:    
    2. Accelerated data-driven materials science with the Materials Project. Nat Mater. 2025 Oct; 24(10):1522-1532. Horton MK, Huck P, Yang RX, Munro JM, Dwaraknath S, Ganose AM, Kingsbury RS, Wen M, Shen JX, Mathis TS, Kaplan AD, Berket K, Riebesell J, George J, Rosen AS, Spotte-Smith EWC, McDermott MJ, Cohen OA, Dunn A, Kuner MC, Rignanese GM, Petretto G, Waroquiers D, Griffin SM, Neaton JB, Chrzan DC, Asta M, Hautier G, Cholia S, Ceder G, Ong SP, Jain A, Persson KA. PMID: 40610673.
      View in: PubMed   Mentions: 1     Fields:    
    3. Purely electronic insulator-metal transition in rutile VO2. Nat Commun. 2025 Jul 01; 16(1):5444. Cheng S, Navarro H, Wang Z, Li X, Kaur J, Pofelski A, Meng Q, Zhou C, Chen C, Dean MPM, Liu M, Basaran AC, Rozenberg M, Ong SP, Schuller IK, Zhu Y. PMID: 40595465; PMCID: PMC12218368.
      View in: PubMed   Mentions:    Fields:    
    4. A Disordered Rock Salt Anode for Long-Lived All-Vanadium Sodium-Ion Battery. Adv Mater. 2025 Nov; 37(46):e2503143. Lin H, Wang Z, Solares O, Huber S, Hofmann J, Danitz S, Peng WT, Zhou K, Lee PC, Liu H, Hui Z, Liu R, Liu M, Tang W, Wu J, Chen Z, Chapman KW, Ong SP, Liu P. PMID: 40465324.
      View in: PubMed   Mentions:    Fields:    
    5. Proton-exchange induced reactivity in layered oxides for lithium-ion batteries. Nat Commun. 2024 Nov 13; 15(1):9842. Xu P, Guo X, Jiao B, Chen J, Zhang M, Liu H, Yu X, Appleberry M, Yang Z, Gao H, Yang F, Weng X, Shen Y, Gu J, Meng YS, Brooks C, Ong SP, Chen Z. PMID: 39537614; PMCID: PMC11560953.
      View in: PubMed   Mentions: 1     Fields:    
    6. Enhanced Cycling Stability of All-Solid-State Lithium-Sulfur Battery through Nonconductive Polar Hosts. Nano Lett. 2024 Jun 05; 24(22):6625-6633. Jin T, Liang K, Yu JH, Wang T, Li Y, Li TD, Ong SP, Yu JS, Yang Y. PMID: 38788161.
      View in: PubMed   Mentions:    Fields:    
    7. Influence of Interlayer Cation Ordering on Na Transport in P2-Type Na0.67-xLiy Ni0.33-zMn0.67+zO2 for Sodium-Ion Batteries. J Am Chem Soc. 2024 Jun 05; 146(22):15108-15118. Gabriel E, Wang Z, Singh VV, Graff K, Liu J, Koroni C, Hou D, Schwartz D, Li C, Liu J, Guo X, Osti NC, Ong SP, Xiong H. PMID: 38695683; PMCID: PMC11157533.
      View in: PubMed   Mentions: 1     Fields:    
    8. Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digit Discov. 2024 Aug 07; 3(8):1509-1533. Evans ML, Bergsma J, Merkys A, Andersen CW, Andersson OB, Beltrán D, Blokhin E, Boland TM, Castañeda Balderas R, Choudhary K, Díaz Díaz A, Domínguez García R, Eckert H, Eimre K, Fuentes Montero ME, Krajewski AM, Mortensen JJ, Nápoles Duarte JM, Pietryga J, Qi J, Trejo Carrillo FJ, Vaitkus A, Yu J, Zettel A, de Castro PB, Carlsson J, Cerqueira TFT, Divilov S, Hajiyani H, Hanke F, Jose K, Oses C, Riebesell J, Schmidt J, Winston D, Xie C, Yang X, Bonella S, Botti S, Curtarolo S, Draxl C, Fuentes Cobas LE, Hospital A, Liu ZK, Marques MAL, Marzari N, Morris AJ, Ong SP, Orozco M, Persson KA, Thygesen KS, Wolverton C, Scheidgen M, Toher C, Conduit GJ, Pizzi G, Gražulis S, Rignanese GM, Armiento R. PMID: 39118978; PMCID: PMC11305395.
      View in: PubMed   Mentions: 2  
    9. Healable and conductive sulfur iodide for solid-state Li-S batteries. Nature. 2024 Mar; 627(8003):301-305. Zhou J, Holekevi Chandrappa ML, Tan S, Wang S, Wu C, Nguyen H, Wang C, Liu H, Yu S, Miller QRS, Hyun G, Holoubek J, Hong J, Xiao Y, Soulen C, Fan Z, Fullerton EE, Brooks CJ, Wang C, Clément RJ, Yao Y, Hu E, Ong SP, Liu P. PMID: 38448596.
      View in: PubMed   Mentions: 16     Fields:    
    10. Recent advances and outstanding challenges for machine learning interatomic potentials. Nat Comput Sci. 2023 Dec; 3(12):998-1000. Ko TW, Ong SP. PMID: 38177726.
      View in: PubMed   Mentions: 7     Fields:    
    11. Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li0.375Sr0.4375Ta0.75Zr0.25O3. Nat Commun. 2023 Apr 06; 14(1):1940. Lee T, Qi J, Gadre CA, Huyan H, Ko ST, Zuo Y, Du C, Li J, Aoki T, Wu R, Luo J, Ong SP, Pan X. PMID: 37024455; PMCID: PMC10079928.
      View in: PubMed   Mentions: 4     Fields:    
    12. Oxygen-Loss-Induced Structural Degradation in ε-LiVOPO4. ACS Appl Mater Interfaces. 2023 Jan 11; 15(1):963-972. Zhang H, Zhou H, Deng Z, Luo L, Ong SP, Wang C, Xin H, Whittingham MS, Zhou G. PMID: 36537553.
      View in: PubMed   Mentions:    Fields:    
    13. A universal graph deep learning interatomic potential for the periodic table. Nat Comput Sci. 2022 Nov; 2(11):718-728. Chen C, Ong SP. PMID: 38177366.
      View in: PubMed   Mentions: 81     Fields:    
    14. Thermodynamics and Kinetics of the Cathode-Electrolyte Interface in All-Solid-State Li-S Batteries. J Am Chem Soc. 2022 Oct 05; 144(39):18009-18022. Holekevi Chandrappa ML, Qi J, Chen C, Banerjee S, Ong SP. PMID: 36150188; PMCID: PMC9546513.
      View in: PubMed   Mentions: 8     Fields:    
    15. Electrochemically induced amorphous-to-rock-salt phase transformation in niobium oxide electrode for Li-ion batteries. Nat Mater. 2022 Jul; 21(7):795-803. Barnes P, Zuo Y, Dixon K, Hou D, Lee S, Ma Z, Connell JG, Zhou H, Deng C, Smith K, Gabriel E, Liu Y, Maryon OO, Davis PH, Zhu H, Du Y, Qi J, Zhu Z, Chen C, Zhu Z, Zhou Y, Simmonds PJ, Briggs AE, Schwartz D, Ong SP, Xiong H. PMID: 35501365.
      View in: PubMed   Mentions: 19     Fields:    
    16. Inherent stochasticity during insulator-metal transition in VO2. Proc Natl Acad Sci U S A. 2021 09 14; 118(37). Cheng S, Lee MH, Tran R, Shi Y, Li X, Navarro H, Adda C, Meng Q, Chen LQ, Dynes RC, Ong SP, Schuller IK, Zhu Y. PMID: 34493666; PMCID: PMC8449351.
      View in: PubMed   Mentions: 7     Fields:    
    17. Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order. Nat Commun. 2021 Aug 11; 12(1):4873. Yin S, Zuo Y, Abu-Odeh A, Zheng H, Li XG, Ding J, Ong SP, Asta M, Ritchie RO. PMID: 34381027; PMCID: PMC8357793.
      View in: PubMed   Mentions: 14     Fields:    
    18. A framework for quantifying uncertainty in DFT energy corrections. Sci Rep. 2021 Jul 29; 11(1):15496. Wang A, Kingsbury R, McDermott M, Horton M, Jain A, Ong SP, Dwaraknath S, Persson KA. PMID: 34326361; PMCID: PMC8322326.
      View in: PubMed   Mentions: 18     Fields:    
    19. Database of ab initio L-edge X-ray absorption near edge structure. Sci Data. 2021 06 11; 8(1):153. Chen Y, Chen C, Zheng C, Dwaraknath S, Horton MK, Cabana J, Rehr J, Vinson J, Dozier A, Kas JJ, Persson KA, Ong SP. PMID: 34117266; PMCID: PMC8196187.
      View in: PubMed   Mentions: 5     Fields:    
    20. A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries. Nat Commun. 2021 Feb 23; 12(1):1256. Wu EA, Banerjee S, Tang H, Richardson PM, Doux JM, Qi J, Zhu Z, Grenier A, Li Y, Zhao E, Deysher G, Sebti E, Nguyen H, Stephens R, Verbist G, Chapman KW, Clément RJ, Banerjee A, Meng YS, Ong SP. PMID: 33623048; PMCID: PMC7902639.
      View in: PubMed   Mentions: 32     Fields:    
    21. Learning properties of ordered and disordered materials from multi-fidelity data. Nat Comput Sci. 2021 Jan; 1(1):46-53. Chen C, Zuo Y, Ye W, Li X, Ong SP. PMID: 38217148.
      View in: PubMed   Mentions: 31     Fields:    
    22. Multiprincipal Component P2-Na0.6(Ti0.2Mn0.2Co0.2Ni0.2Ru0.2)O2 as a High-Rate Cathode for Sodium-Ion Batteries. JACS Au. 2021 Jan 25; 1(1):98-107. Yang L, Chen C, Xiong S, Zheng C, Liu P, Ma Y, Xu W, Tang Y, Ong SP, Chen H. PMID: 34467273; PMCID: PMC8395632.
      View in: PubMed   Mentions: 5  
    23. A disordered rock salt anode for fast-charging lithium-ion batteries. Nature. 2020 09; 585(7823):63-67. Liu H, Zhu Z, Yan Q, Yu S, He X, Chen Y, Zhang R, Ma L, Liu T, Li M, Lin R, Chen Y, Li Y, Xing X, Choi Y, Gao L, Cho HS, An K, Feng J, Kostecki R, Amine K, Wu T, Lu J, Xin HL, Ong SP, Liu P. PMID: 32879503.
      View in: PubMed   Mentions: 40     Fields:    
    24. Exploring Frontiers in Research and Teaching: NanoEngineering and Chemical Engineering at UC San Diego. ACS Nano. 2020 08 25; 14(8):9203-9216. Lipomi DJ, Fenning DP, Ong SP, Shah NJ, Tao AR, Zhang L. PMID: 32806076.
      View in: PubMed   Mentions:    Fields:    
    25. Random Forest Models for Accurate Identification of Coordination Environments from X-Ray Absorption Near-Edge Structure. Patterns (N Y). 2020 May 08; 1(2):100013. Zheng C, Chen C, Chen Y, Ong SP. PMID: 33205091; PMCID: PMC7660409.
      View in: PubMed   Mentions: 11  
    26. Rechargeable Alkali-Ion Battery Materials: Theory and Computation. Chem Rev. 2020 Jul 22; 120(14):6977-7019. Van der Ven A, Deng Z, Banerjee S, Ong SP. PMID: 32022553.
      View in: PubMed   Mentions: 33     Fields:    
    27. Performance and Cost Assessment of Machine Learning Interatomic Potentials. J Phys Chem A. 2020 Jan 30; 124(4):731-745. Zuo Y, Chen C, Li X, Deng Z, Chen Y, Behler J, Csányi G, Shapeev AV, Thompson AP, Wood MA, Ong SP. PMID: 31916773.
      View in: PubMed   Mentions: 75     Fields:    
    28. Revealing Nanoscale Solid-Solid Interfacial Phenomena for Long-Life and High-Energy All-Solid-State Batteries. ACS Appl Mater Interfaces. 2019 Nov 20; 11(46):43138-43145. Banerjee A, Tang H, Wang X, Cheng JH, Nguyen H, Zhang M, Tan DHS, Wynn TA, Wu EA, Doux JM, Wu T, Ma L, Sterbinsky GE, D'Souza MS, Ong SP, Meng YS. PMID: 31642661.
      View in: PubMed   Mentions: 8     Fields:    
    29. Chlorine-Doped Perovskite Oxide: A Platinum-Free Cathode for Dye-Sensitized Solar Cells. ACS Appl Mater Interfaces. 2019 Oct 02; 11(39):35641-35652. Wang W, Tran R, Qu J, Liu Y, Chen C, Xu M, Chen Y, Ong SP, Wang L, Zhou W, Shao Z. PMID: 31532199.
      View in: PubMed   Mentions:    Fields:    
    30. 2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches. Sci Data. 2019 06 12; 6(1):86. Zhou J, Shen L, Costa MD, Persson KA, Ong SP, Huck P, Lu Y, Ma X, Chen Y, Tang H, Feng YP. PMID: 31189922; PMCID: PMC6561947.
      View in: PubMed   Mentions: 35     Fields:    
    31. Deep neural networks for accurate predictions of crystal stability. Nat Commun. 2018 09 18; 9(1):3800. Ye W, Chen C, Wang Z, Chu IH, Ong SP. PMID: 30228262; PMCID: PMC6143552.
      View in: PubMed   Mentions: 23     Fields:    
    32. High-throughput computational X-ray absorption spectroscopy. Sci Data. 2018 07 31; 5:180151. Mathew K, Zheng C, Winston D, Chen C, Dozier A, Rehr JJ, Ong SP, Persson KA. PMID: 30063226; PMCID: PMC6067047.
      View in: PubMed   Mentions: 21     Fields:    
    33. Correction to Insights into the Performance Limits of the Li7P3S11 Superionic Conductor: A Combined First-Principles and Experimental Study. ACS Appl Mater Interfaces. 2018 Mar 28; 10(12):10598. Chu IH, Nguyen H, Hy S, Lin YC, Wang Z, Xu Z, Deng Z, Meng YS, Ong SP. PMID: 29553708.
      View in: PubMed   Mentions: 1     Fields:    
    34. New Insights into the Interphase between the Na Metal Anode and Sulfide Solid-State Electrolytes: A Joint Experimental and Computational Study. ACS Appl Mater Interfaces. 2018 Mar 28; 10(12):10076-10086. Wu EA, Kompella CS, Zhu Z, Lee JZ, Lee SC, Chu IH, Nguyen H, Ong SP, Banerjee A, Meng YS. PMID: 29528620.
      View in: PubMed   Mentions: 7     Fields:    
    35. First-Order Interfacial Transformations with a Critical Point: Breaking the Symmetry at a Symmetric Tilt Grain Boundary. Phys Rev Lett. 2018 Feb 23; 120(8):085702. Yang S, Zhou N, Zheng H, Ong SP, Luo J. PMID: 29543024.
      View in: PubMed   Mentions: 6     Fields:    
    36. Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals. Adv Mater. 2017 Nov; 29(43). Luo Y, Khoram P, Brittman S, Zhu Z, Lai B, Ong SP, Garnett EC, Fenning DP. PMID: 28961331.
      View in: PubMed   Mentions: 17     Fields:    
    37. The thermodynamic scale of inorganic crystalline metastability. Sci Adv. 2016 Nov; 2(11):e1600225. Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G. PMID: 28138514; PMCID: PMC5262468.
      View in: PubMed   Mentions: 107     Fields:    
    38. Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor. Sci Rep. 2016 09 20; 6:33733. Chu IH, Kompella CS, Nguyen H, Zhu Z, Hy S, Deng Z, Meng YS, Ong SP. PMID: 27645565; PMCID: PMC5028709.
      View in: PubMed   Mentions: 19     Fields:    
    39. Surface energies of elemental crystals. Sci Data. 2016 09 13; 3:160080. Tran R, Xu Z, Radhakrishnan B, Winston D, Sun W, Persson KA, Ong SP. PMID: 27622853; PMCID: PMC5020873.
      View in: PubMed   Mentions: 106     Fields:    Translation:Cells
    40. Insights into the Performance Limits of the Li7P3S11 Superionic Conductor: A Combined First-Principles and Experimental Study. ACS Appl Mater Interfaces. 2016 Mar; 8(12):7843-53. Chu IH, Nguyen H, Hy S, Lin YC, Wang Z, Xu Z, Deng Z, Meng YS, Ong SP. PMID: 26950604.
      View in: PubMed   Mentions: 13     Fields:    
    41. Design and synthesis of the superionic conductor Na10SnP2S12. Nat Commun. 2016 Mar 17; 7:11009. Richards WD, Tsujimura T, Miara LJ, Wang Y, Kim JC, Ong SP, Uechi I, Suzuki N, Ceder G. PMID: 26984102; PMCID: PMC4800433.
      View in: PubMed   Mentions: 23     Fields:    
    42. Thermal Stability and Reactivity of Cathode Materials for Li-Ion Batteries. ACS Appl Mater Interfaces. 2016 Mar 23; 8(11):7013-21. Huang Y, Lin YC, Jenkins DM, Chernova NA, Chung Y, Radhakrishnan B, Chu IH, Fang J, Wang Q, Omenya F, Ong SP, Whittingham MS. PMID: 26915096.
      View in: PubMed   Mentions: 7     Fields:    
    43. Design principles for solid-state lithium superionic conductors. Nat Mater. 2015 Oct; 14(10):1026-31. Wang Y, Richards WD, Ong SP, Miara LJ, Kim JC, Mo Y, Ceder G. PMID: 26280225.
      View in: PubMed   Mentions: 135     Fields:    
    44. Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study. Phys Chem Chem Phys. 2015 Feb 28; 17(8):5942-53. Jain A, Hautier G, Ong SP, Dacek S, Ceder G. PMID: 25636088.
      View in: PubMed   Mentions: 5     Fields:    
    45. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening. J Phys Chem Lett. 2015 Jan 15; 6(2):283-91. Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. PMID: 26263464.
      View in: PubMed   Mentions: 38     Fields:    
    46. Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2. Nat Mater. 2014 Jun; 13(6):586-92. Li X, Ma X, Su D, Liu L, Chisnell R, Ong SP, Chen H, Toumar A, Idrobo JC, Lei Y, Bai J, Wang F, Lynn JW, Lee YS, Ceder G. PMID: 24836735.
      View in: PubMed   Mentions: 23     Fields:    
    47. Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries. Nano Lett. 2014 Feb 12; 14(2):1016-20. Kang S, Mo Y, Ong SP, Ceder G. PMID: 24417743.
      View in: PubMed   Mentions: 11     Fields:    
    48. A comparison of destabilization mechanisms of the layered Na(x)MO2 and Li(x)MO2 compounds upon alkali de-intercalation. Phys Chem Chem Phys. 2012 Nov 28; 14(44):15571-8. Kim S, Ma X, Ong SP, Ceder G. PMID: 23076452.
      View in: PubMed   Mentions: 13     Fields:    
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