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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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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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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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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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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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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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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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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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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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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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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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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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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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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 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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