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Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production

Nature communications, 2015-07, Vol.6 (1), p.7493-7493, Article 7493

2015

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Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Chemical Society reviews, 2022-03, Vol.51 (6), p.1899-1925

2022

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Theory of Thermal Relaxation of Electrons in Semiconductors

Physical review letters, 2017-09, Vol.119 (13), p.136602-136602, Article 136602

2017

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Data-driven design of novel halide perovskite alloys

Energy & environmental science, 2022-05, Vol.15 (5), p.193-1949

2022

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First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

ACS applied materials & interfaces, 2015-09, Vol.7 (34), p.18985-18996

2015

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Machine Learning Force Field Parameters from Ab Initio Data

Journal of chemical theory and computation, 2017-09, Vol.13 (9), p.4492-4503

2017

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First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon

Journal of the American Chemical Society, 2012-09, Vol.134 (35), p.14362-14374

2012

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Synthesis of borophane polymorphs through hydrogenation of borophene

Science (American Association for the Advancement of Science), 2021-03, Vol.371 (6534), p.1143-1148

2021

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On the Origin of Photoluminescence in Silicon Nanocrystals: Pressure-Dependent Structural and Optical Studies

Nano letters, 2012-08, Vol.12 (8), p.4200-4205

2012

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Anharmonic stabilization and lattice heat transport in rocksalt β-GeTe

Applied physics letters, 2018-11, Vol.113 (19)

2018

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Exploring the Origin of Anionic Redox Activity in Super Li-Rich Iron Oxide-Based High-Energy-Density Cathode Materials

Chemistry of materials, 2022-05, Vol.34 (10), p.4536-4547

2022

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Accelerated screening of functional atomic impurities in halide perovskites using high-throughput computations and machine learning

Journal of materials science, 2022-06, Vol.57 (23), p.10736-10754

2022

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Imaging Catalytic Activation of CO2 on Cu2O (110): A First-Principles Study

Chemistry of materials, 2018-03, Vol.30 (6), p.1912-1923

2018

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First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

ACS applied materials & interfaces, 2014-12, Vol.6 (23), p.21141-21150

2014

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Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures

The journal of physical chemistry letters, 2016-10, Vol.7 (19), p.3752-3759

2016

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Defect Energetics in Pseudo-Cubic Mixed Halide Lead Perovskites from First-Principles

Journal of physical chemistry. C, 2020-08, Vol.124 (31), p.16729-16738

2020

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Correcting lateral response artifacts from flatbed scanners for radiochromic film dosimetry

Medical physics (Lancaster), 2015-01, Vol.42 (1), p.416-429

2015

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Machine Learning for Patient-Specific Quality Assurance of VMAT: Prediction and Classification Accuracy

International journal of radiation oncology, biology, physics, 2019-11, Vol.105 (4), p.893-902

2019

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Thermal Stability of Colloidal InP Nanocrystals: Small Inorganic Ligands Boost High-Temperature Photoluminescence

ACS nano, 2014-01, Vol.8 (1), p.977-985

2014

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First principles modeling of polymer encapsulant degradation in Si photovoltaic modules

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (17), p.1357-1364

2021

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Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

Journal of physical chemistry. C, 2015-08, Vol.119 (32), p.18177-18187

2015

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Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data

Journal of physical chemistry. C, 2019-03, Vol.123 (12), p.6941-6957

2019

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Visualizing Redox Dynamics of a Single Ag/AgCl Heterogeneous Nanocatalyst at Atomic Resolution

ACS nano, 2016-03, Vol.10 (3), p.3738-3746

2016

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Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

The Journal of chemical physics, 2022-03, Vol.156 (11), p.114110-114110

2022

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Translation of proteomic biomarkers into FDA approved cancer diagnostics: issues and challenges

Clinical proteomics, 2013-10, Vol.10 (1), p.13-13, Article 13

2013

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Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production

Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Theory of Thermal Relaxation of Electrons in Semiconductors

Data-driven design of novel halide perovskite alloys

First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

Machine Learning Force Field Parameters from Ab Initio Data

First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon

Synthesis of borophane polymorphs through hydrogenation of borophene

On the Origin of Photoluminescence in Silicon Nanocrystals: Pressure-Dependent Structural and Optical Studies

Anharmonic stabilization and lattice heat transport in rocksalt β-GeTe

Exploring the Origin of Anionic Redox Activity in Super Li-Rich Iron Oxide-Based High-Energy-Density Cathode Materials

Accelerated screening of functional atomic impurities in halide perovskites using high-throughput computations and machine learning

Imaging Catalytic Activation of CO2 on Cu2O (110): A First-Principles Study

First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures

Defect Energetics in Pseudo-Cubic Mixed Halide Lead Perovskites from First-Principles

Correcting lateral response artifacts from flatbed scanners for radiochromic film dosimetry

Machine Learning for Patient-Specific Quality Assurance of VMAT: Prediction and Classification Accuracy

Thermal Stability of Colloidal InP Nanocrystals: Small Inorganic Ligands Boost High-Temperature Photoluminescence

First principles modeling of polymer encapsulant degradation in Si photovoltaic modules

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data

Visualizing Redox Dynamics of a Single Ag/AgCl Heterogeneous Nanocatalyst at Atomic Resolution

Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

Translation of proteomic biomarkers into FDA approved cancer diagnostics: issues and challenges

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