Shyue Ping Ong
Title
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Year
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
A Jain, SP Ong, G Hautier, W Chen, WD Richards, S Dacek, S Cholia, ...
APL materials 1 (1), 011002, 2013
36002013
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
SP Ong, WD Richards, A Jain, G Hautier, M Kocher, S Cholia, D Gunter, ...
Computational Materials Science 68, 314-319, 2013
13672013
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
SP Ong, VL Chevrier, G Hautier, A Jain, C Moore, S Kim, X Ma, G Ceder
Energy & Environmental Science 4 (9), 3680-3688, 2011
11802011
Design principles for solid-state lithium superionic conductors
Y Wang, WD Richards, SP Ong, LJ Miara, JC Kim, Y Mo, G Ceder
Nature materials 14 (10), 1026-1031, 2015
7522015
A high-throughput infrastructure for density functional theory calculations
A Jain, G Hautier, CJ Moore, SP Ong, CC Fischer, T Mueller, KA Persson, ...
Computational Materials Science 50 (8), 2295-2310, 2011
6912011
Formation enthalpies by mixing GGA and GGA+ U calculations
A Jain, G Hautier, SP Ong, CJ Moore, CC Fischer, KA Persson, G Ceder
Physical Review B 84 (4), 045115, 2011
6522011
Li−Fe−P−O2 Phase Diagram from First Principles Calculations
SP Ong, L Wang, B Kang, G Ceder
Chemistry of Materials 20 (5), 1798-1807, 2008
5022008
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
Y Mo, SP Ong, G Ceder
Chemistry of Materials 24 (1), 15-17, 2012
4662012
Phase stability, electrochemical stability and ionic conductivity of the Li 101 MP 2 X 12 (M= Ge, Si, Sn, Al or P, and X= O, S or Se) family of superionic conductors
SP Ong, Y Mo, WD Richards, L Miara, HS Lee, G Ceder
Energy & Environmental Science 6 (1), 148-156, 2013
4372013
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
G Hautier, A Jain, SP Ong, B Kang, C Moore, R Doe, G Ceder
Chemistry of Materials 23 (15), 3495-3508, 2011
3862011
Surface energies of elemental crystals
R Tran, Z Xu, B Radhakrishnan, D Winston, W Sun, KA Persson, SP Ong
Scientific data 3 (1), 1-13, 2016
3192016
Electrochemical windows of room-temperature ionic liquids from molecular dynamics and density functional theory calculations
SP Ong, O Andreussi, Y Wu, N Marzari, G Ceder
Chemistry of Materials 23 (11), 2979-2986, 2011
3062011
Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability
G Hautier, SP Ong, A Jain, CJ Moore, G Ceder
Physical Review B 85 (15), 155208, 2012
3052012
The thermodynamic scale of inorganic crystalline metastability
W Sun, ST Dacek, SP Ong, G Hautier, A Jain, WD Richards, AC Gamst, ...
Science advances 2 (11), e1600225, 2016
2942016
Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds
VL Chevrier, SP Ong, R Armiento, MKY Chan, G Ceder
Physical Review B 82 (7), 075122, 2010
2862010
FireWorks: A dynamic workflow system designed for high‐throughput applications
A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ...
Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015
2652015
The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
SP Ong, S Cholia, A Jain, M Brafman, D Gunter, G Ceder, KA Persson
Computational Materials Science 97, 209-215, 2015
2242015
Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations
G Hautier, A Jain, H Chen, C Moore, SP Ong, G Ceder
Journal of Materials Chemistry 21 (43), 17147-17153, 2011
2152011
Thermal stabilities of delithiated olivine MPO4 (M= Fe, Mn) cathodes investigated using first principles calculations
SP Ong, A Jain, G Hautier, B Kang, G Ceder
Electrochemistry Communications 12 (3), 427-430, 2010
2122010
First-principles study of the oxygen evolution reaction of lithium peroxide in the lithium-air battery
Y Mo, SP Ong, G Ceder
Physical Review B 84 (20), 205446, 2011
2002011
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