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Machine Learning-Assisted Discovery of Solid Li-Ion Conducting Materials

Chemistry of materials, 2019-01, Vol.31 (2), p.342-352

2019

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Predicting the synthesizability of crystalline inorganic materials from the data of known material compositions

npj computational materials, 2023-08, Vol.9 (1), p.155-11, Article 155

2023

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Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions

Journal of chemical information and modeling, 2022-11, Vol.62 (22), p.5435-5445

2022

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Predicting polymer solubility from phase diagrams to compatibility: a perspective on challenges and opportunities

Soft matter, 2024-07, Vol.20 (29), p.5652-5669

2024

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Discovery of Stable Surfaces with Extreme Work Functions by High‐Throughput Density Functional Theory and Machine Learning

Advanced functional materials, 2024-05, Vol.34 (19), p.n/a

2024

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Discovery of Stable Surfaces with Extreme Work Functions by High‐Throughput Density Functional Theory and Machine Learning (Adv. Funct. Mater. 19/2024)

Advanced functional materials, 2024-05, Vol.34 (19), p.n/a

2024

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Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties

ACS nano, 2021-06, Vol.15 (6), p.9851-9859

2021

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Novel Ultrabright and Air‐Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening

Advanced materials (Weinheim), 2021-11, Vol.33 (44), p.n/a

2021

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Revealing the Spectrum of Unknown Layered Materials with Superhuman Predictive Abilities

The journal of physical chemistry letters, 2018-12, Vol.9 (24), p.6967-6972

2018

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Combining Superionic Conduction and Favorable Decomposition Products in the Crystalline Lithium–Boron–Sulfur System: A New Mechanism for Stabilizing Solid Li-Ion Electrolytes

ACS applied materials & interfaces, 2020-08, Vol.12 (34), p.37957-37966

2020

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Novel Ultrabright and Air‐Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening (Adv. Mater. 44/2021)

Advanced materials (Weinheim), 2021-11, Vol.33 (44), p.n/a

2021

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Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Small (Weinheim an der Bergstrasse, Germany), 2024-08, Vol.20 (32), p.e2308784-n/a

2024

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Frustrated Lewis Pair Chelation as a Vehicle for Low‐Temperature Semiconductor Element and Polymer Deposition

Angewandte Chemie International Edition, 2021-01, Vol.60 (1), p.228-231

International ed. in English, 2021

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New Assembly-Free Bulk Layered Inorganic Vertical Heterostructures with Infrared and Optical Bandgaps

Nano letters, 2019-01, Vol.19 (1), p.142-149

2019

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Generalizable density functional theory based photoemission model for the accelerated development of photocathodes and other photoemissive devices

Physical review. B, 2020-06, Vol.101 (23), p.1, Article 235447

2020

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Frustrated Lewis Pair Chelation as a Vehicle for Low‐Temperature Semiconductor Element and Polymer Deposition

Angewandte Chemie, 2021-01, Vol.133 (1), p.230-233

2021

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Machine-Learning-Driven Expansion of the 1D van der Waals Materials Space

Journal of physical chemistry. C, 2023-11, Vol.127 (44), p.21675-21683

2023

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A New Solid Li-ion Electrolyte from the Crystalline Lithium-Boron-Sulfur System

SSRN Electronic Journal

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Machine Learning-Assisted Discovery of Solid Li-Ion Conducting Materials

Predicting the synthesizability of crystalline inorganic materials from the data of known material compositions

Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions

Predicting polymer solubility from phase diagrams to compatibility: a perspective on challenges and opportunities

Discovery of Stable Surfaces with Extreme Work Functions by High‐Throughput Density Functional Theory and Machine Learning

Discovery of Stable Surfaces with Extreme Work Functions by High‐Throughput Density Functional Theory and Machine Learning (Adv. Funct. Mater. 19/2024)

Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties

Novel Ultrabright and Air‐Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening

Revealing the Spectrum of Unknown Layered Materials with Superhuman Predictive Abilities

Combining Superionic Conduction and Favorable Decomposition Products in the Crystalline Lithium–Boron–Sulfur System: A New Mechanism for Stabilizing Solid Li-Ion Electrolytes

Novel Ultrabright and Air‐Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening (Adv. Mater. 44/2021)

Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Frustrated Lewis Pair Chelation as a Vehicle for Low‐Temperature Semiconductor Element and Polymer Deposition

New Assembly-Free Bulk Layered Inorganic Vertical Heterostructures with Infrared and Optical Bandgaps

Generalizable density functional theory based photoemission model for the accelerated development of photocathodes and other photoemissive devices

Frustrated Lewis Pair Chelation as a Vehicle for Low‐Temperature Semiconductor Element and Polymer Deposition

Machine-Learning-Driven Expansion of the 1D van der Waals Materials Space

A New Solid Li-ion Electrolyte from the Crystalline Lithium-Boron-Sulfur System

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