His main research concerns Density functional theory, Ion, Ab initio, Chemical physics and Nanotechnology. His Density functional theory study integrates concerns from other disciplines, such as Atomic physics, Phase diagram and Thermodynamics. His Ion study incorporates themes from Fast ion conductor and Analytical chemistry.
His Fast ion conductor research incorporates themes from Maricite and Conductivity. His research brings together the fields of Electrolyte and Nanotechnology. His work deals with themes such as Electrical conductor and Electrochemistry, which intersect with Electrolyte.
His primary areas of study are Density functional theory, Electrolyte, Chemical physics, Lithium and Ion. His Density functional theory research includes elements of Condensed matter physics, Work, Thermodynamics and Grain boundary. In the subject of general Electrolyte, his work in Fast ion conductor is often linked to Energy storage and Solid-state, thereby combining diverse domains of study.
His Fast ion conductor research is multidisciplinary, incorporating perspectives in Alkali metal, Chemical engineering, Ionic conductivity and Conductivity. His work in Lithium tackles topics such as Ionic bonding which are related to areas like Conductor, Analytical chemistry and Electrical conductor. Shyue Ping Ong interconnects Inorganic chemistry, Intercalation and Transition metal in the investigation of issues within Ion.
Shyue Ping Ong mainly focuses on Chemical engineering, Density functional theory, Artificial intelligence, Ion and Chemical physics. The study incorporates disciplines such as Fast ion conductor, Cathode, Anode and Sodium in addition to Chemical engineering. His studies deal with areas such as Ionic bonding, van der Waals force, Arrhenius equation and Thermodynamics as well as Fast ion conductor.
His Density functional theory study combines topics in areas such as Work, Grain boundary, Molecular dynamics, Condensed matter physics and Crystallite. His research in Ion intersects with topics in Inorganic chemistry, Nanocrystal, Alkali metal and Surface energy. As part of one scientific family, Shyue Ping Ong deals mainly with the area of Inorganic chemistry, narrowing it down to issues related to the Substitution, and often Lithium.
Shyue Ping Ong mostly deals with Anode, Chemical engineering, Grain boundary, Crystallite and Density functional theory. Shyue Ping Ong has researched Anode in several fields, including Low voltage, Oxide, Intercalation, Lithium titanate and Lithium. His Chemical engineering research incorporates elements of HOMO/LUMO, Metal, Overpotential, Reference electrode and Faraday efficiency.
The Grain boundary study combines topics in areas such as Cohesive energy, Condensed matter physics and Work. His Crystallite research is multidisciplinary, relying on both Strengthening mechanisms of materials, Single crystal, Solid solution and Composite material, Shear modulus. He focuses mostly in the field of Density functional theory, narrowing it down to matters related to Molecular dynamics and, in some cases, Artificial intelligence.
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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Anubhav Jain;Shyue Ping Ong;Geoffroy Hautier;Wei Chen.
APL Materials (2013)
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
Shyue Ping Ong;Vincent L. Chevrier;Geoffroy Hautier;Anubhav Jain.
Energy and Environmental Science (2011)
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Shyue Ping Ong;William Davidson Richards;Anubhav Jain;Geoffroy Hautier.
Computational Materials Science (2013)
Design principles for solid-state lithium superionic conductors
Yan Wang;William Davidson Richards;Shyue Ping Ong;Shyue Ping Ong;Lincoln J. Miara.
Nature Materials (2015)
A high-throughput infrastructure for density functional theory calculations
Anubhav Jain;Geoffroy Hautier;Charles J. Moore;Shyue Ping Ong.
Computational Materials Science (2011)
Formation enthalpies by mixing GGA and GGA + U calculations
Anubhav Jain;Geoffroy Hautier;Shyue Ping Ong;Charles J. Moore.
Physical Review B (2011)
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
Yifei Mo;Shyue Ping Ong;Gerbrand Ceder.
Chemistry of Materials (2012)
Li−Fe−P−O2 Phase Diagram from First Principles Calculations
Shyue Ping Ong;Lei Wang;Byoungwoo Kang;Gerbrand Ceder.
Chemistry of Materials (2008)
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;Yifei Mo;William Davidson Richards;Lincoln Miara.
Energy and Environmental Science (2013)
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
Geoffroy Hautier;Anubhav Jain;Shyue Ping Ong;Byoungwoo Kang.
Chemistry of Materials (2011)
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