S. Ong

发表

Probing Solid–Solid Interfacial Reactions in All-Solid-State Sodium-Ion Batteries with First-Principles Calculations

Hanmei Tang, Z. Deng, Zhuonan Lin, 2018 .

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Kristin A. Persson, Wei Chen, S. Ong, 2013 .

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Chi Chen, Chen Zheng, S. Ong, 2018, Chemistry of Materials.

A Critical Review of Machine Learning of Energy Materials

Z. Deng, Chi Chen, S. Ong, 2020, Advanced Energy Materials.

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2011 .

Learning properties of ordered and disordered materials from multi-fidelity data

Chi Chen, S. Ong, Yunxing Zuo, 2021, Nature Computational Science.

Rechargeable Alkali-Ion Battery Materials: Theory and Computation.

Z. Deng, S. Ong, A. Van der Ven, 2020, Chemical reviews.

Multi-fidelity Graph Networks for Machine Learning the Experimental Properties of Ordered and Disordered Materials

Chi Chen, S. Ong, Yunxing Zuo, 2020, 2005.04338.

A Performance and Cost Assessment of Machine Learning Interatomic Potentials.

J. Behler, Z. Deng, Chi Chen, 2019, The journal of physical chemistry. A.

An electrostatic spectral neighbor analysis potential for lithium nitride

Z. Deng, Chi Chen, S. Ong, 2019, npj Computational Materials.

An electrostatic spectral neighbor analysis potential for lithium nitride

Shyue Ping Ong, Zhi Deng, Z. Deng, 2019, npj Computational Materials.

Unravelling Complex Strengthening Mechanisms in the NbMoTaW Multi-Principal Element Alloy with Machine Learning Potentials

Chi Chen, S. Ong, Xiang-Guo Li, 2019 .

Quantum-accurate spectral neighbor analysis potential models for Ni-Mo binary alloys and fcc metals

Jian Luo, Shyue Ping Ong, Zhi Deng, 2018, Physical Review B.

Accurate Force Field for Molybdenum by Machine Learning Large Materials Data

Shyue Ping Ong, Hanmei Tang, Iek-Heng Chu, 2017, 1706.09122.

New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships

S. Ong, Anubhav Jain, G. Hautier, 2016 .

Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study.

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2015, Physical chemistry chemical physics : PCCP.

Experimental and Computational Evaluation of a Sodium-Rich Anti-Perovskite for Solid State Electrolytes

Erik A. Wu, Thomas A. Yersak, Z. Deng, 2016 .

Li−Fe−P−O2 Phase Diagram from First Principles Calculations

Lei Wang, Shyue Ping Ong, Gerbrand Ceder, 2008 .

Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2010 .

Comparison of Small Polaron Migration and Phase Separation in Olivine LiMnPO₄ and LiFePO₄ using Hybrid Density Functional Theory

Shyue Ping Ong, Gerbrand Ceder, Vincent Chevrier, 2011 .

Thermal Stability and Reactivity of Cathode Materials for Li-Ion Batteries.

Iek-Heng Chu, S. Ong, M. Whittingham, 2016, ACS applied materials & interfaces.

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2011 .

Design principles for solid-state lithium superionic conductors.

S. Ong, Yifei Mo, W. Richards, 2015, Nature materials.

Design Principles for Solid‐State Lithium Superionic Conductors

S. Ong, Yifei Mo, W. Richards, 2015 .

Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li7+2x–y(La3–xRbx)(Zr2–yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation

Shyue Ping Ong, Gerbrand Ceder, Hyo Sug Lee, 2013 .

Rational Composition Optimization of the Lithium-Rich Li3OCl1–xBrx Anti-Perovskite Superionic Conductors

Shyue Ping Ong, Zhi Deng, Balachandran Radhakrishnan, 2015 .

The Electrolyte Genome project: A big data approach in battery materials discovery

Lei Cheng, S. Ong, L. Curtiss, 2015 .

Random Forest Models for Accurate Identification of Coordination Environments from X-Ray Absorption Near-Edge Structure

Chi Chen, Chen Zheng, S. Ong, 2019, Patterns.

Automated generation and ensemble-learned matching of X-ray absorption spectra

Hanmei Tang, Chi Chen, Chen Zheng, 2017, npj Computational Materials.

High-throughput computational X-ray absorption spectroscopy

Chi Chen, Chen Zheng, S. Ong, 2018, Scientific Data.

Accelerating materials science with high-throughput computations and machine learning

S. Ong, 2019, Computational Materials Science.

The thermodynamic scale of inorganic crystalline metastability

S. Ong, Anubhav Jain, G. Hautier, 2016, Science Advances.

Formation enthalpies by mixing GGA and GGA + U calculations

Anubhav Jain, Kristin A. Persson, Shyue Ping Ong, 2011 .

Surface energies of elemental crystals

Kristin A. Persson, Shyue Ping Ong, Wenhao Sun, 2016, Scientific Data.

A high-throughput infrastructure for density functional theory calculations

Anubhav Jain, Tim Mueller, Shyue Ping Ong, 2011 .

Deep neural networks for accurate predictions of crystal stability

Shyue Ping Ong, Iek-Heng Chu, Weike Ye, 2017, Nature Communications.

Predicting Thermal Quenching in Inorganic Phosphors

Hanmei Tang, Zhenbin Wang, Chi Chen, 2020 .

First-Order Interfacial Transformations with a Critical Point: Breaking the Symmetry at a Symmetric Tilt Grain Boundary.

S. Ong, Huijin Zheng, Jian Luo, 2018, Physical review letters.

First-principles study of the oxygen evolution reaction of lithium peroxide in the lithium-air battery

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2011, Physical Review B.

A Facile Mechanism for Recharging Li2O2 in Li–O2 Batteries

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2013 .

Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

Shyue Ping Ong, Zhi Deng, Yifei Mo, 2016 .

A Universal Machine Learning Model for Elemental Grain Boundary Energies

Chi Chen, S. Ong, Weike Ye, 2022, SSRN Electronic Journal.

Emergence of near-boundary segregation zones in face-centered cubic multiprincipal element alloys

S. Ong, D. Apelian, Huijin Zheng, 2021, Physical Review Materials.

KVOPO4: A New High Capacity Multielectron Na‐Ion Battery Cathode

Iek-Heng Chu, S. Ong, M. Whittingham, 2018 .

Thermal Stabilities of Delithiated Olivine MPO[subscript 4] (M=Fe,Mn) Cathodes investigated using First Principles Calculations

S. Ong, Byoungwoo Kang, Anubhav Jain, 2010 .

Enabling Thin and Flexible Solid-State Composite Electrolytes by the Scalable Solution Process

Erik A. Wu, Darren H. S. Tan, Z. Deng, 2019, ACS Applied Energy Materials.

Divalent-doped Na 3 Zr 2 Si 2 PO 12 natrium superionic conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases

Z. Deng, S. Ong, Y. Meng, 2017 .

Grain boundary properties of elemental metals

Chi Chen, S. Ong, K. Persson, 2019, Acta Materialia.

The Promise and Challenges of Quantum Computing for Energy Storage

S. Ong, J. McClean, A. Ho, 2018 .

Effects of Transition-Metal Mixing on Na Ordering and Kinetics in Layered P 2 Oxides

Zhenbin Wang, Iek-Heng Chu, Chen Zheng, 2017 .

Battery Electrodes, Electrolytes, and Their Interfaces

Iek-Heng Chu, S. Ong, Y. Meng, 2018, Handbook of Materials Modeling.

Jahn–Teller distortion-driven robust blue-light-emitting perovskite nanoplatelets

S. Ong, W. Im, G. K. Grandhi, 2020 .

UNIVERSITY OF CALIFORNIA SAN DIEGO A Universal Understanding of Thermal Quenching in Eu2+ and Ce3+-Doped Phosphors A thesis submitted in partial satisfaction of the requirements for the degree Master of Science in Materials Science and Engineering by

Zhenbin Wang, S. Ong, O. Graeve, 2019 .

Predicting the volumes of crystals

Iek-Heng Chu, S. Ong, Anubhav Jain, 2017, 1712.01321.

Comparison of the polymorphs of VOPO4 as multi-electron cathodes for rechargeable alkali-ion batteries

Iek-Heng Chu, S. Ong, M. Whittingham, 2017 .

Design and synthesis of the superionic conductor Na[subscript 10]SnP[subscript 2]S[subscript 12]

S. Ong, W. Richards, G. Ceder, 2016 .

Data Descriptor: Surface energies of elemental crystals

Kristin A. Persson, S. Ong, Richard Tran, 2016 .

A Facile Mechanism for Recharging Li 2 O 2 in Li − O 2 Batteries

S. Ong, Yifei Mo, G. Ceder, 2013 .

Composition Optimization of the Lithium-Rich Li 3 OCl 1- X Br x Anti-Perovskite Superionic Conductors

Z. Deng, S. Ong, Balachandran Radhakrishnan, 2015 .

Superionic Conductor : A First Principles Investigation

S. Ong, Yifei Mo, W. Richards, 2013 .

Phase stability, electrochemical stability and ionic conductivity of the Li[subscript 10±1]MP[subscript 2]X[subscript 12] (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

S. Ong, Yifei Mo, W. Richards, 2012 .

First Principles Study of the Li[subscript 10]GeP[subscript 2]S[subscript 12] Lithium Super Ionic Conductor Material

S. Ong, G. Ceder, Yifei Mo, 2011 .

Quantum materials for energy-efficient neuromorphic computing

S. Ong, Y. Fainman, A. Petford-Long, 2022, ArXiv.

Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2.

Xin Li, Lei Liu, Shyue Ping Ong, 2014, Nature materials.

A universal graph deep learning interatomic potential for the periodic table

Chi Chen, S. Ong, 2022, Nature Computational Science.

An optoelectronic heterostructure for neuromorphic computing: CdS/V3O5

S. Ong, M. Rozenberg, I. Schuller, 2022, Applied Physics Letters.

Vanadyl Phosphates AxVOPO4 (A = Li, Na, K) as Multielectron Cathodes for Alkali‐Ion Batteries

S. Ong, M. Whittingham, C. Grey, 2020, Advanced Energy Materials.

Interfacial Stability of Layered LiNixMnyCo1–x–yO2 Cathodes with Sulfide Solid Electrolytes in All-Solid-State Rechargeable Lithium-Ion Batteries from First-Principles Calculations

S. Ong, Swastika Banerjee, Balachandran Radhakrishnan, 2022, The Journal of Physical Chemistry C.

Thermodynamics and Kinetics of the Cathode–Electrolyte Interface in All-Solid-State Li–S Batteries

Chi Chen, S. Ong, Swastika Banerjee, 2022, Journal of the American Chemical Society.

Intercalation Chemistry of the Disordered Rocksalt Li3V2O5 Anode from Cluster Expansions and Machine Learning Interatomic Potentials

Chi Chen, S. Ong, Xingyu Guo, 2022, Chemistry of Materials.

Multi-scale Investigation of Chemical Short-Range Order and Dislocation Glide in the MoNbTi and TaNbTi Refractory Multi-Principal Element Alloys

Chi Chen, S. Ong, Xiang-Guo Li, 2022 .

All‐Electric Nonassociative Learning in Nickel Oxide

Chi Chen, S. Ong, K. Roy, 2022, Adv. Intell. Syst..

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Jason M. Munro, Matthew K. Horton, Kristin A. Persson, 2022, npj Computational Materials.

Electrochemically induced amorphous-to-rock-salt phase transformation in niobium oxide electrode for Li-ion batteries

Chi Chen, Zhuoying Zhu, S. Ong, 2022, Nature Materials.

Efficient near-infrared phosphors discovered by parametrizing the Eu(II) 5d-to-4f energy gap

Zhenbin Wang, Chi Chen, S. Ong, 2022, Matter.

Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors

Zhenbin Wang, Iek-Heng Chu, S. Ong, 2016, 1604.04581.

Rational synthesis and electrochemical performance of LiVOPO4 polymorphs

Zhenbin Wang, Iek-Heng Chu, S. Ong, 2019, Journal of Materials Chemistry A.

Uniform second Li ion intercalation in solid state ϵ-LiVOPO4

S. Ong, M. Whittingham, Jinghua Guo, 2016 .

Li 3 Y ( PS 4 ) 2 and Li 5 PS 4 Cl 2 : New Lithium Superionic Conductors Predicted from Silver Thiophosphates using E ffi ciently Tiered Ab Initio Molecular Dynamics Simulations

Iek-Heng Chu, Zhuoying Zhu, S. Ong, 2017 .

Oxygen Deficiency and Migration-Mediated Electric Polarization in Magnetic Fe,Co-Substituted SrTiO3−δ

S. Ong, C. Ross, J. M. Florez, 2019, Magnetochemistry.

Ordering in Na-ion Intercalation Materials Studied by TEM and DFT Computations

S. Ong, G. Ceder, Xiaohua Ma, 2013 .

Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

Shyue Ping Ong, Gerbrand Ceder, Vincent Chevrier, 2010 .

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order

S. Ong, Yunxing Zuo, R. Ritchie, 2021, Nature Communications.

Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors

Zhenbin Wang, Iek-Heng Chu, S. Ong, 2016, 1604.04581.

Understanding the Electrochemical Properties of Naphthalene Diimide: Implication for Stable and High-Rate Lithium-Ion Battery Electrodes

Hanmei Tang, S. Ong, Shenglin Jiang, 2018 .

Design and synthesis of the superionic conductor Na10SnP2S12

Shyue Ping Ong, Gerbrand Ceder, Yan Wang, 2016, Nature Communications.

An integrated first principles and experimental investigation of the relationship between structural rigidity and quantum efficiency in phosphors for solid state lighting

Zhenbin Wang, S. Ong, J. McKittrick, 2016 .

Li3Y(PS4)2 and Li5PS4Cl2: New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations

Shyue Ping Ong, Zhuoying Zhu, Iek-Heng Chu, 2017 .

Cation-Size Mismatch as a Design Principle for Enhancing the Efficiency of Garnet Phosphors

Zhenbin Wang, S. Ong, W. Im, 2020 .

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Anubhav Jain, Dan Gunter, Kristin A. Persson, 2012 .

Color tunable single-phase Eu2+and Ce3+co-activated Sr2LiAlO4phosphors

Zhenbin Wang, S. Ong, J. McKittrick, 2019, Journal of Materials Chemistry C.

Morphology Control of Tantalum Carbide Nanoparticles through Dopant Additions

S. Ong, Xiang-Guo Li, O. Graeve, 2021 .

Elucidating Structure–Composition–Property Relationships of the β-SiAlON:Eu2+ Phosphor

Zhenbin Wang, Iek-Heng Chu, S. Ong, 2016 .

Role of Zr in strengthening MoSi2 from density functional theory calculations

S. Ong, Xiang-Guo Li, Huijin Zheng, 2018 .

Compositionally Complex Perovskite Oxides as a New Class of Li-Ion Solid Electrolytes

S. Ong, Wei Peng, W. Bowman, 2022, 2212.13451.

First-principles insights on the magnetism of cubic SrTi1−xCoxO3−δ

S. Ong, G. Ceder, C. Ross, 2012 .

Magnetism and Faraday Rotation in Oxygen-Deficient Polycrystalline and Single-Crystal Iron-Substituted Strontium Titanate

Dong Hun Kim, S. Ong, C. Ross, 2017 .

A framework for quantifying uncertainty in DFT energy corrections

Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, 2021, Scientific Reports.

Recent advances and applications of deep learning methods in materials science

Brian L. DeCost, Cheol Woo Park, A. Choudhary, 2021, npj Computational Materials.

Data Descriptor: High-throughput computational X-ray absorption spectroscopy

Kristin A. Persson, Chi Chen, Chen Zheng, 2018 .

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

Anubhav Jain, Dan Gunter, Kristin A. Persson, 2015 .

Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals

Anubhav Jain, Tim Mueller, Shyue Ping Ong, 2013 .

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

Shyue Ping Ong, Gerbrand Ceder, Nicola Marzari, 2011 .

Data-Driven Discovery of Full-Visible-Spectrum Phosphor

Zhenbin Wang, S. Ong, R. Xie, 2019, Chemistry of Materials.

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2012 .

Li-Fe-PO 2 Phase Diagram from First Principles Calculations

S. Ong, Byoungwoo Kang, G. Ceder, 2008 .

From the computer to the laboratory: materials discovery and design using first-principles calculations

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, 2012, Journal of Materials Science.

Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy

Chi Chen, S. Ong, Yunxing Zuo, 2019, npj Computational Materials.

Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

Shyue Ping Ong, Gerbrand Ceder, Hyo Sug Lee, 2013 .

Deep neural networks for accurate predictions of crystal stability

Zhenbin Wang, Iek-Heng Chu, Chi Chen, 2017, Nature Communications.

Accelerating materials discovery with Bayesian optimization and graph deep learning

Chi Chen, S. Ong, Yunxing Zuo, 2021, Materials Today.

Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2011 .

AtomSets as a hierarchical transfer learning framework for small and large materials datasets

Chi Chen, S. Ong, 2021, npj Computational Materials.

The Materials Project: Accelerating Materials Design Through Theory-Driven Data and Tools

Patrick Huck, Anubhav Jain, Kristin A. Persson, 2020, Handbook of Materials Modeling.

Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Matthew Horton, Zi-Kui Liu, Anubhav Jain, 2017 .

FireWorks: a dynamic workflow system designed for high‐throughput applications

Wei Chen, Xiaohui Qu, Anubhav Jain, 2015, Concurr. Comput. Pract. Exp..

A disordered rock salt anode for fast-charging lithium-ion batteries

Tongchao Liu, Jun Lu, K. Amine, 2020, Nature.

First-principles study of iron oxyfluorides and lithiation of FeOF

Shyue Ping Ong, Gerbrand Ceder, Geoffroy Hautier, 2013 .

Molybdenum Substituted Vanadyl Phosphate ε-VOPO4 with Enhanced Two-Electron Transfer Reversibility and Kinetics for Lithium-Ion Batteries

S. Ong, M. Whittingham, Natasha A. Chernova, 2016 .

Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO4 over Multiple Lithium Intercalation

S. Ong, M. Whittingham, Hao Liu, 2016 .

Water Contributes to Higher Energy Density and Cycling Stability of Prussian Blue Analogue Cathodes for Aqueous Sodium-Ion Batteries

Z. Deng, Zhenbin Wang, S. Ong, 2019, Chemistry of Materials.

Understanding the Electrochemical Mechanisms Induced by Gradient Mg2+ Distribution of Na-Rich Na3+xV2–xMgx(PO4)3/C for Sodium Ion Batteries

Hanmei Tang, S. Ong, Y. Meng, 2018 .

First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2012 .

A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries

Erik A. Wu, Hanmei Tang, Zhuoying Zhu, 2021, Nature Communications.

Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening.

Lei Cheng, Anubhav Jain, Shyue Ping Ong, 2015, The journal of physical chemistry letters.

Design and synthesis of the superionic conductor Na [ subscript 10 ] SnP

S. Ong, W. Richards, G. Ceder, 2016 .

Design and synthesis of the superionic conductor Na10SnP2S12

S. Ong, W. Richards, G. Ceder, 2016, Nature Communications.

A comparison of destabilization mechanisms of the layered Na(x)MO2 and Li(x)MO2 compounds upon alkali de-intercalation.

S. Ong, G. Ceder, Sangtae Kim, 2012, Physical chemistry chemical physics : PCCP.

Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor

Z. Deng, Iek-Heng Chu, Zhuoying Zhu, 2016, Scientific Reports.

Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor

Shyue Ping Ong, Zhuoying Zhu, Iek-Heng Chu, 2015 .

Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12

Yan Chen, K. An, Zhuoying Zhu, 2019, ACS Materials Letters.

Predictive modeling and design rules for solid electrolytes

S. Ong, G. Ceder, Yan Wang, 2018, MRS Bulletin.

Insights into the Performance Limits of the Li7P3S11 Superionic Conductor: A Combined First-Principles and Experimental Study.

Ying Shirley Meng, Shyue Ping Ong, Iek-Heng Chu, 2016, ACS applied materials & interfaces.

Elastic Properties of Alkali Superionic Conductor Electrolytes from First Principles Calculations

Z. Deng, Zhenbin Wang, Iek-Heng Chu, 2016 .

The Breakdown of Mott Physics at VO$_2$ Surfaces.

Engineering, Astronomy, Department of Materials Science, 2020, 2012.05306.

Role of Critical Oxygen Concentration in the β-Li3PS4–xOx Solid Electrolyte

S. Ong, Swastika Banerjee, Manas Likhit Holekevi Chandrappa, 2022, ACS Applied Energy Materials.

Tunable Lithium-Ion Transport in Mixed-Halide Argyrodites Li6–xPS5–xClBrx: An Unusual Compositional Space

S. Ong, Pengbo Wang, P. Chien, 2021 .

Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors

Shyue Ping Ong, Zhuoying Zhu, Iek-Heng Chu, 2017 .

Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2014 .

Anisotropic work function of elemental crystals

Joseph H. Montoya, Kristin A. Persson, S. Ong, 2019, Surface Science.

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

Lei Shen, Patrick Huck, Hanmei Tang, 2019, Scientific Data.

A long-lasting dual-function electrolyte additive for stable lithium metal batteries

Z. Deng, S. Ong, Ping Liu, 2020 .

Revealing Nanoscale Solid-Solid Interfacial Phenomena for Long-Life and High-Energy All-Solid-State Batteries.

Erik A. Wu, Darren H. S. Tan, Hanmei Tang, 2019, ACS applied materials & interfaces.

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

Kristin A. Persson, Hanmei Tang, S. Ong, 2019, Scientific Data.

Harnessing the Materials Project for machine-learning and accelerated discovery

Anubhav Jain, Kristin A. Persson, Shyue Ping Ong, 2018, MRS Bulletin.

Recharging lithium battery research with first-principles methods

Anubhav Jain, Shyue Ping Ong, Gerbrand Ceder, 2011 .

Low hole polaron migration barrier in lithium peroxide

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2012 .

Multiprincipal Component P2-Na0.6(Ti0.2Mn0.2Co0.2Ni0.2Ru0.2)O2 as a High-Rate Cathode for Sodium-Ion Batteries

Chi Chen, Chen Zheng, S. Ong, 2020, JACS Au.

Multi-fidelity Graph Networks for Deep Learning the Experimental Properties of Ordered and Disordered Materials

Chi Chen, S. Ong, Yunxing Zuo, 2020 .

Exploring Frontiers in Research and Teaching: NanoEngineering and Chemical Engineering at UC San Diego.

Liangfang Zhang, Andrea R Tao, Darren J Lipomi, 2020, ACS nano.

Bridging the gap between simulated and experimental ionic conductivities in lithium superionic conductors

Chi Chen, Zhuoying Zhu, S. Ong, 2021, 2102.08413.

Mining Unexplored Chemistries for Phosphors for High-Color-Quality White-Light-Emitting Diodes

Zhenbin Wang, S. Ong, J. McKittrick, 2018 .

Engineering of K3YSi2O7 To Tune Photoluminescence with Selected Activators and Site Occupancy

S. Ong, Y. Chuang, Z. Xia, 2019, Chemistry of Materials.

Ultrafast ion transport at a cathode–electrolyte interface and its strong dependence on salt solvation

Z. Deng, S. Ong, Y. Chiang, 2020 .

Research data supporting "Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture"

Wen Liu, Anubhav Jain, Kristin A. Persson, 2016 .

Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals

B. Lai, Zhuoying Zhu, S. Ong, 2017, Advanced materials.

Author Correction: Automated generation and ensemble-learned matching of X-ray absorption spectra

Hanmei Tang, Chi Chen, Chen Zheng, 2018, npj Computational Materials.

Interfacial Effects in ε-LixVOPO4 and Evolution of the Electronic Structure

S. Ong, J. Woicik, M. Whittingham, 2015 .

Quantum materials for energy-efficient neuromorphic computing

S. Ong, Y. Fainman, A. Petford-Long, 2022, APL Materials.

Design Principles for Aqueous Na-Ion Battery Cathodes

Z. Deng, Zhenbin Wang, S. Ong, 2020 .

New Insights into the Interphase between the Na Metal Anode and Sulfide Solid-State Electrolytes: A Joint Experimental and Computational Study.

Erik A. Wu, Steven C. Lee, Zhuoying Zhu, 2018, ACS applied materials & interfaces.

Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries.

Shyue Ping Ong, Gerbrand Ceder, Yifei Mo, 2014, Nano letters.

Computational study of metallic dopant segregation and embrittlement at molybdenum grain boundaries

S. Ong, Jian Luo, Richard Tran, 2016 .

Database of ab initio L-edge X-ray absorption near edge structure

Matthew K. Horton, Chi Chen, Chen Zheng, 2021, Scientific data.

Proton distribution visualization in perovskite nickelate devices utilizing nanofocused x rays

S. Ong, Hanfei Yan, Xiaojing Huang, 2021, Physical Review Materials.

First-principles insights on the magnetism of cubic SrTi 1 2 x Co x O 3 2 d

S. Ong, G. Ceder, C. Ross, 2012 .

Polaron-induced metal-to-insulator transition in vanadium oxides from density functional theory calculations

Chi Chen, S. Ong, J. Kaur, 2023, Physical Review B.

Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project

Lavanya Ramakrishnan, Anubhav Jain, Dan Gunter, 2012, 2012 SC Companion: High Performance Computing, Networking Storage and Analysis.

Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory

S. Ong, G. Ceder, 2010 .

Machine Learning Moment Tensor Potential for Modelling Dislocation and Fracture in L1$_0$-TiAl and D0$_{19}$-Ti$_3$Al Alloys

S. Ong, Yunxing Zuo, S. Quek, 2023, 2305.11825.

Unified Theory of Thermal Quenching in Inorganic Phosphors

Hanmei Tang, Zhenbin Wang, Chi Chen, 2019, 1910.12420.

Oxygen-vacancy tuning of magnetism in SrTi0.75Fe0.125Co0.125O3−δ perovskite

S. Ong, C. Ross, J. M. Florez, 2019, Physical Review Materials.

Realizing Wide‐Gamut Human‐Centric Display Lighting with K3AlP3O9N:Eu2+

S. Ong, J. Bao, Jakoah Brgoch, 2023, Advanced Optical Materials.

Vacancy Ordering in O3-Type Layered Metal Oxide Sodium-Ion Battery Cathodes

S. Ong, W. Richards, S. Dacek, 2015 .

New Insights into the Interphase between the Na Metal Anode and Sul fi de Solid-State Electrolytes : A Joint Experimental and Computational Study

Erik A. Wu, Steven C. Lee, Zhuoying Zhu, 2018 .

Compositionally complex perovskite oxides: Discovering a new class of solid electrolytes with interface-enabled conductivity improvements

S. Ong, Wei Peng, W. Bowman, 2023, Matter.

Ultrafast ion transport at a cathode–electrolyte interface and its strong dependence on salt solvation

Z. Deng, S. Ong, Y. Chiang, 2020, Nature Energy.

Ab Initio Molecular Dynamics Studies of Fast Ion Conductors

Z. Deng, Zhuoying Zhu, S. Ong, 2018 .

Lawrence Berkeley National Laboratory Recent Work Title A Performance and Cost Assessment of Machine Learning Interatomic Potentials Permalink

Z. Deng, Chi Chen, S. Ong, 2019 .

Metal-insulator transition in V2O3 with intrinsic defects

S. Ong, Xiang-Guo Li, Richard Tran, 2021 .

KVOPO 4 : A New High Capacity Multielectron NaIon Battery Cathode

S. Ong, M. Whittingham, Jia Ding, 2018 .

Studies of Functional Defects for Fast Na‐Ion Conduction in Na3−yPS4−xClx with a Combined Experimental and Computational Approach

Zhuoying Zhu, S. Ong, Pengbo Wang, 2019, Advanced Functional Materials.

Aqueous Stability of Alkali Superionic Conductors from First-Principles Calculations

Shyue Ping Ong, Balachandran Radhakrishnan, S. Ong, 2016, Front. Energy Res..

Design Principles for Cation‐Mixed Sodium Solid Electrolytes

Hanmei Tang, Zhuoying Zhu, S. Ong, 2021, Advanced Energy Materials.

Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolyte Li0.375Sr0.4375Ta0.75Zr0.25O3

S. Ong, Yunxing Zuo, R. Wu, 2022, Nature Communications.

Synthetic Control of Structure and Conduction Properties in Na-Y-Zr-Cl Solid Electrolytes

Erik A. Wu, S. Ong, Y. Meng, 2022, Journal of Materials Chemistry A.

A Stable Cathode-Solid Electrolyte Composite for Long-Cycle-Life, High Voltage Solid-State Sodium-ion Batteries

Erik A. Wu, Hanmei Tang, Zhuoying Zhu, 2020 .

Artificial intelligence is aiding the search for energy materials

S. Ong, Prachi Patel, 2019, MRS Bulletin.

Inherent stochasticity during insulator–metal transition in VO2

S. Ong, R. Dynes, Long-Qing Chen, 2021, Proceedings of the National Academy of Sciences.

Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor

Z. Deng, Zhuoying Zhu, S. Ong, 2015 .

2DMatPedia: An open computational database of two-dimensional materials from top-down and bottom-up approaches

S. Ong, M. D. Costa, Jun Zhou, 2019, 1901.09487.

A Performance and Cost Assessment of Machine Learning Interatomic Potentials.

J. Behler, Z. Deng, Chi Chen, 2019, The journal of physical chemistry. A.

Oxygen-vacancy tuning of magnetism in SrTi

S. Ong, C. Ross, J. M. Florez, 2019 .

Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries.

S. Ong, Yifei Mo, G. Ceder, 2014, Nano letters.

Learning properties of ordered and disordered materials from multi-fidelity data

Chi Chen, S. Ong, Yunxing Zuo, 2021, Nature Computational Science.

MxLa1–xSiO2–yNz (M = Ca/Sr/Ba): Elucidating and Tuning the Structure and Eu2+ Local Environments to Develop Full-Visible Spectrum Phosphors

Zhenbin Wang, S. Ong, R. Xie, 2022, Chemistry of Materials.

Healable and conductive sulfur iodide for solid-state Li-S batteries.

S. Ong, R. Clément, John Holoubek, 2024, Nature.

Recent advances and outstanding challenges for machine learning interatomic potentials

S. Ong, Tsz Wai Ko, 2023, Nat. Comput. Sci..

Oxygen-Loss-Induced Structural Degradation in ε-LiVOPO4.

Z. Deng, S. Ong, H. Xin, 2022, ACS applied materials & interfaces.

Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys

Chi Chen, S. Ong, Xiang-Guo Li, 2022, 2203.03767.