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Rechargeable Batteries of the Future—The State of the Art from a BATTERY 2030+ Perspective

Advanced energy materials, 2022-05, Vol.12 (17), p.n/a

2022

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Role of CO as a Spectator in CO2 Electroreduction on RuO2

Journal of physical chemistry. C, 2017-08, Vol.121 (34), p.18333-18343

2017

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Transition1x - a dataset for building generalizable reactive machine learning potentials

Scientific data, 2022-12, Vol.9 (1), p.779-779, Article 779

2022

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Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

ChemSusChem, 2016-11, Vol.9 (22), p.3230-3243

2016

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Equivariant graph neural networks for fast electron density estimation of molecules, liquids, and solids

npj computational materials, 2022-08, Vol.8 (1), p.1-10, Article 183

2022

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MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods

Scientific data, 2023-11, Vol.10 (1), p.783-783, Article 783

2023

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Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

PeerJ physical chemistry, 2023-12, Vol.5, p.e30, Article e30

2023

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Equivariant Graph-Representation-Based Actor–Critic Reinforcement Learning for Nanoparticle Design

Journal of chemical information and modeling, 2023-06, Vol.63 (12), p.3731-3741

2023

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Frequency- and temperature-dependent dielectric response in hybrid molecular beam epitaxy-grown BaSnO3 films

APL materials, 2018-06, Vol.6 (6), p.066107-066107-6

2018

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AI Fast Track to Battery Fast Charge

Joule, 2020-04, Vol.4 (4), p.717-719

2020

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Sensitivity analysis methodology for battery degradation models

Electrochimica acta, 2023-01, Vol.439, p.141430, Article 141430

2023

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Alteration of Electronic Band Structure via a Metal–Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation

ACS nano, 2021-12, Vol.15 (12), p.20364-20376

2021

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Synthesis of Cu/CeO2‑x Nanocrystalline Heterodimers with Interfacial Active Sites To Promote CO2 Electroreduction

ACS catalysis, 2019-06, Vol.9 (6), p.5035-5046

2019

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Artificial Intelligence Applied to Battery Research: Hype or Reality?

Chemical reviews, 2022-06, Vol.122 (12), p.10899-10969

2022

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Temperature Dependent Reversible p–n–p Type Conduction Switching with Colossal Change in Thermopower of Semiconducting AgCuS

Journal of the American Chemical Society, 2014-09, Vol.136 (36), p.12712-12720

2014

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Neural network potentials for accelerated metadynamics of oxygen reduction kinetics at Au-water interfaces

Chemical science (Cambridge), 2023-04, Vol.14 (14), p.3913-3922

2023

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Role of CO as a Spectator in CO 2 Electroreduction on RuO 2

Journal of physical chemistry. C, 2017-08, Vol.121 (34), p.18333-18343

2017

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Modeling the Solid Electrolyte Interphase: Machine Learning as a Game Changer?

Advanced materials interfaces, 2022-03, Vol.9 (8), p.n/a

2022

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Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT

Journal of chemical information and modeling, 2022-10, Vol.62 (19), p.4727-4735

2022

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Neural network ansatz for periodic wave functions and the homogeneous electron gas

Physical review. B, 2023-06, Vol.107 (23), Article 235139

2023

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Electrochemical Reduction of CO 2 on Ir x Ru (1– x ) O 2 (110) Surfaces

ACS catalysis, 2017-12, Vol.7 (12), p.8502-8513

2017

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On-the-fly assessment of diffusion barriers of disordered transition metal oxyfluorides using local descriptors

Electrochimica acta, 2021-08, Vol.388, p.138551, Article 138551

2021

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Unveiling the plating-stripping mechanism in aluminum batteries with imidazolium-based electrolytes: A hierarchical model based on experiments and ab initio simulations

Chemical engineering journal (Lausanne, Switzerland : 1996), 2023-09, Vol.472, p.144995, Article 144995

2023

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Implications of the BATTERY 2030+ AI‐Assisted Toolkit on Future Low‐TRL Battery Discoveries and Chemistries

Advanced energy materials, 2022-05, Vol.12 (17), p.n/a

2022

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A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030

Advanced energy materials, 2022-05, Vol.12 (17), p.n/a

2022

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Rechargeable Batteries of the Future—The State of the Art from a BATTERY 2030+ Perspective

Role of CO as a Spectator in CO2 Electroreduction on RuO2

Transition1x - a dataset for building generalizable reactive machine learning potentials

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

Equivariant graph neural networks for fast electron density estimation of molecules, liquids, and solids

MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods

Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

Equivariant Graph-Representation-Based Actor–Critic Reinforcement Learning for Nanoparticle Design

Frequency- and temperature-dependent dielectric response in hybrid molecular beam epitaxy-grown BaSnO3 films

AI Fast Track to Battery Fast Charge

Sensitivity analysis methodology for battery degradation models

Alteration of Electronic Band Structure via a Metal–Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation

Synthesis of Cu/CeO2‑x Nanocrystalline Heterodimers with Interfacial Active Sites To Promote CO2 Electroreduction

Artificial Intelligence Applied to Battery Research: Hype or Reality?

Temperature Dependent Reversible p–n–p Type Conduction Switching with Colossal Change in Thermopower of Semiconducting AgCuS

Neural network potentials for accelerated metadynamics of oxygen reduction kinetics at Au-water interfaces

Role of CO as a Spectator in CO 2 Electroreduction on RuO 2

Modeling the Solid Electrolyte Interphase: Machine Learning as a Game Changer?

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT

Neural network ansatz for periodic wave functions and the homogeneous electron gas

Electrochemical Reduction of CO 2 on Ir x Ru (1– x ) O 2 (110) Surfaces

On-the-fly assessment of diffusion barriers of disordered transition metal oxyfluorides using local descriptors

Unveiling the plating-stripping mechanism in aluminum batteries with imidazolium-based electrolytes: A hierarchical model based on experiments and ab initio simulations

Implications of the BATTERY 2030+ AI‐Assisted Toolkit on Future Low‐TRL Battery Discoveries and Chemistries

A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030

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