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Deep neural networks for accurate predictions of crystal stability

Nature communications, 2018-09, Vol.9 (1), p.3800-6, Article 3800

2018

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

Chemistry of materials, 2016-06, Vol.28 (11), p.4024-4031

2016

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

Chemistry of materials, 2015-12, Vol.27 (24), p.8318-8325

2015

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

Computational materials science, 2017-11, Vol.139 (C), p.140-152

2017

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

Chemistry of materials, 2017-03, Vol.29 (6), p.2474-2484

2017

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

Advanced functional materials, 2019-02, Vol.29 (9), p.n/a

2019

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Accurate force field for molybdenum by machine learning large materials data

Physical review materials, 2017-09, Vol.1 (4), Article 043603

2017

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

Advanced energy materials, 2018-07, Vol.8 (21), p.n/a

2018

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Studies of Functional Defects for Fast Na‐Ion Conduction in Na 3− y PS 4− x Cl x with a Combined Experimental and Computational Approach

Advanced functional materials, 2019-02, Vol.29 (9)

2019

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

Chemistry of materials, 2017-01, Vol.29 (1), p.281-288

2017

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

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (33)

2017

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Charge Transport in a Quantum Dot Supercrystal

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21409-21415

2011

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

Chemistry of materials, 2018-01, Vol.30 (1), p.163-173

2018

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All-electron GW quasiparticle band structures of group 14 nitride compounds

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044709-044709

2014

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

ACS applied materials & interfaces, 2016-03, Vol.8 (12), p.7843-7853

2016

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Transformer-Based Multi-Aspect Multi-Granularity Non-Native English Speaker Pronunciation Assessment

ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2022, p.7262-7266

2022

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IEEE_Xplore

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

ACS applied materials & interfaces, 2018-03, Vol.10 (12), p.10076-10086

2018

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

ACS applied materials & interfaces, 2016-03, Vol.8 (11), p.7013-7021

2016

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Structural Changes in a High-Energy Density VO2F Cathode upon Heating and Li Cycling

ACS applied energy materials, 2018-09, Vol.1 (9), p.4514-4521

2018

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Effects of Transition-Metal Mixing on Na Ordering and Kinetics in Layered P2 Oxides

Physical review applied, 2017-06, Vol.7 (6)

2017

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Manipulating the Phonon Bottleneck in Graphene Quantum Dots: Phonon-Induced Carrier Relaxation within the Linear Response Theory

Journal of physical chemistry. C, 2015-10, Vol.119 (39), p.22357-22369

2015

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Predicting the volumes of crystals

Computational materials science, 2018-04, Vol.146 (C), p.184-192

2018

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Water thin film-silica interaction on α -quartz (0001) surfaces

Physical review. B, Condensed matter and materials physics, 2011-10, Vol.84 (15), Article 155444

2011

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Rational synthesis and electrochemical performance of LiVOPO4 polymorphs

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (14), p.8423-8432

2019

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First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes

Journal of physical chemistry. C, 2013-09, Vol.117 (35), p.17909-17918

2013

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Deep neural networks for accurate predictions of crystal stability

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

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

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

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

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

Accurate force field for molybdenum by machine learning large materials data

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

Studies of Functional Defects for Fast Na‐Ion Conduction in Na 3− y PS 4− x Cl x with a Combined Experimental and Computational Approach

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

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

Charge Transport in a Quantum Dot Supercrystal

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

All-electron GW quasiparticle band structures of group 14 nitride compounds

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

Transformer-Based Multi-Aspect Multi-Granularity Non-Native English Speaker Pronunciation Assessment

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

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

Structural Changes in a High-Energy Density VO2F Cathode upon Heating and Li Cycling

Effects of Transition-Metal Mixing on Na Ordering and Kinetics in Layered P2 Oxides

Manipulating the Phonon Bottleneck in Graphene Quantum Dots: Phonon-Induced Carrier Relaxation within the Linear Response Theory

Predicting the volumes of crystals

Water thin film-silica interaction on α -quartz (0001) surfaces

Rational synthesis and electrochemical performance of LiVOPO4 polymorphs

First-Principles Studies of Photoinduced Charge Transfer in Noncovalently Functionalized Carbon Nanotubes

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