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Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

Frontiers in molecular biosciences, 2019-04, Vol.6, p.24-24

2019

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A new kind of atlas of zeolite building blocks

The Journal of chemical physics, 2019-10, Vol.151 (15), p.154112-154112

2019

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Opportunities and challenges of 2D materials in back-end-of-line interconnect scaling

Journal of applied physics, 2020-08, Vol.128 (8)

2020

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Structure-property maps with Kernel principal covariates regression

Machine learning: science and technology, 2020-12, Vol.1 (4), p.45021

2020

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Improving sample and feature selection with principal covariates regression

Machine learning: science and technology, 2021-09, Vol.2 (3), p.35038

2021

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Complexation of heavy metal cations with imidazolium ionic liquids lowers their reduction energy: implications for electrochemical separations

Green chemistry : an international journal and green chemistry resource : GC, 2024-02, Vol.26 (3), p.1566-1576

2024

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Ranking the synthesizability of hypothetical zeolites with the sorting hat

Digital discovery, 2022-12, Vol.1 (6), p.779-789

2022

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Fracture-Healing Kinetics of Thermoreversible Physical Gels Quantified by Shear Rheophysical Experiments

ACS macro letters, 2014-10, Vol.3 (10), p.1069-1073

2014

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i-PI 2.0: A universal force engine for advanced molecular simulations

Computer physics communications, 2019-03, Vol.236, p.214-223

2019

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Bi aliovalent substitution in Li7La3Zr2O12 garnets: Structural and ionic conductivity effects

AIP advances, 2020-03, Vol.10 (3), p.035204-035204-6

2020

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Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts

Journal of molecular liquids, 2022-11, Vol.365, p.120115, Article 120115

2022

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Erratum: Interactions between copper and transition metal dichalcogenides: A density functional theory study [Phys. Rev. Materials 1 , 034001 (2017)]

Physical review materials, 2019-10, Vol.3 (10), Article 109903

2019

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Interactions between copper and transition metal dichalcogenides: A density functional theory study

Physical review materials, 2017-08, Vol.1 (3), Article 034001

2017

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Evaluation of Transition Metal Dichalcogenide Encapsulation to Improve Copper Interconnects: An ab Initio Study

Helfrecht, Benjamin A

2017

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Empirical Modeling of Photoenhanced Current–Voltage Hysteresis in PEDOT:PSS/ZnO Thin-Film Devices

Journal of electronic materials, 2020-05, Vol.49 (5), p.3130-3139

2020

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ZnO-Based Schottky and Oxide Multilayer Devices for Visibly Transparent Photovoltaic Applications

IEEE transactions on electron devices, 2018-08, Vol.65 (8), p.3291-3299

2018

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scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

Open research Europe, 2023, Vol.3, p.81

2023

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scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

Open research Europe, 2023, Vol.3, p.81-81

2023

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Bi aliovalent substitution in Li 7 La 3 Zr 2 O 12 garnets: Structural and ionic conductivity effects

AIP advances, 2020-03, Vol.10 (3)

2020

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Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

A new kind of atlas of zeolite building blocks

Opportunities and challenges of 2D materials in back-end-of-line interconnect scaling

Structure-property maps with Kernel principal covariates regression

Improving sample and feature selection with principal covariates regression

Complexation of heavy metal cations with imidazolium ionic liquids lowers their reduction energy: implications for electrochemical separations

Ranking the synthesizability of hypothetical zeolites with the sorting hat

Fracture-Healing Kinetics of Thermoreversible Physical Gels Quantified by Shear Rheophysical Experiments

i-PI 2.0: A universal force engine for advanced molecular simulations

Bi aliovalent substitution in Li7La3Zr2O12 garnets: Structural and ionic conductivity effects

Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts

Erratum: Interactions between copper and transition metal dichalcogenides: A density functional theory study [Phys. Rev. Materials 1 , 034001 (2017)]

Interactions between copper and transition metal dichalcogenides: A density functional theory study

Evaluation of Transition Metal Dichalcogenide Encapsulation to Improve Copper Interconnects: An ab Initio Study

Empirical Modeling of Photoenhanced Current–Voltage Hysteresis in PEDOT:PSS/ZnO Thin-Film Devices

ZnO-Based Schottky and Oxide Multilayer Devices for Visibly Transparent Photovoltaic Applications

scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science

Bi aliovalent substitution in Li 7 La 3 Zr 2 O 12 garnets: Structural and ionic conductivity effects

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