Lithium batteries and the solid electrolyte interphase (SEI)—progress and outlook
Interfacial dynamics within chemical systems such as electron and ion transport processes
have relevance in the rational optimization of electrochemical energy storage materials and …
have relevance in the rational optimization of electrochemical energy storage materials and …
Anion-exchange membrane water electrolyzers and fuel cells
Anion-exchange membrane (AEM) water electrolyzers (AEMWEs) and fuel cells (AEMFCs)
are technologies that, respectively, achieve transformation and utilization of renewable …
are technologies that, respectively, achieve transformation and utilization of renewable …
Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …
considered a promising technology to construct sustainable energy systems in the future …
LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …
Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
Depolymerization of plastics by means of electrified spatiotemporal heating
Depolymerization is a promising strategy for recycling waste plastic into constituent
monomers for subsequent repolymerization. However, many commodity plastics cannot be …
monomers for subsequent repolymerization. However, many commodity plastics cannot be …
Hypocrystalline ceramic aerogels for thermal insulation at extreme conditions
Thermal insulation under extreme conditions requires materials that can withstand complex
thermomechanical stress and retain excellent thermal insulation properties at temperatures …
thermomechanical stress and retain excellent thermal insulation properties at temperatures …
A survey of visual transformers
Transformer, an attention-based encoder–decoder model, has already revolutionized the
field of natural language processing (NLP). Inspired by such significant achievements, some …
field of natural language processing (NLP). Inspired by such significant achievements, some …
Machine learning for high-entropy alloys: Progress, challenges and opportunities
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional
mechanical properties and the vast compositional space for new HEAs. However …
mechanical properties and the vast compositional space for new HEAs. However …
Four generations of high-dimensional neural network potentials
J Behler - Chemical Reviews, 2021 - ACS Publications
Since their introduction about 25 years ago, machine learning (ML) potentials have become
an important tool in the field of atomistic simulations. After the initial decade, in which neural …
an important tool in the field of atomistic simulations. After the initial decade, in which neural …