相关论文: Accelerating battery research with an AI interface…
The advent of autonomous driving and electrification is enabling the deployment of Electric Autonomous Mobility-on-Demand (E-AMoD) systems, whereby electric autonomous vehicles provide on-demand mobility. Crucially, the design of the…
Sodium-ion batteries have garnered significant attention as a potentially low-cost alternative to lithium-ion batteries, which have experienced supply shortages and pricing volatility of key minerals. Here we assess their techno-economic…
The Solid-Electrolyte Interphase, SEI, formed on a battery electrode has been a central area of research for decades. This thin, complex layer profoundly impacts the electrochemical deposition morphology and stability of the metal in…
Development and optimization of biopharmaceutical production processes with cell cultures is cost- and time-consuming and often performed rather empirically. Efficient optimization of multiple-objectives like process time, viable cell…
Oxidative decomposition of organic-solvent-based liquid electrolytes at cathode material interfaces has been identified as a main reason for rapid capacity fade in high-voltage lithium ion batteries. The evolution of "cathode electrolyte…
The development of new battery materials, particularly novel cathode chemistries, is essential for enabling next generation energy storage technologies. In this work, we employ a multi-fidelity screening protocol combining the Energy-GNoME…
Accurate electrochemical models are essential for the safe and efficient operation of lithium-ion batteries in real-world applications such as electrified vehicles and grid storage. Reduced-order models (ROM) offer a balance between…
We present a multiscale simulation framework that couples the Finite Element Method with molecular dynamics. Bypassing traditional equations of state (EOS) by using in-line atomistic simulations, the method offers the advantage of…
Li-CO$_2$ batteries are promising energy storage systems due to their high theoretical energy density and CO$_2$ fixation capability, relying on reversible Li$_2$CO$_3$/C formation during discharge/charge cycles. We present a multiscale…
This paper proposes a framework called Watts for implementing, comparing, and recombining open-ended learning (OEL) algorithms. Motivated by modularity and algorithmic flexibility, Watts atomizes the components of OEL systems to promote the…
Polymer electrolytes are critical for safe, high-energy-density solid-state batteries, yet discovering candidates that balance high ionic conductivity with high transference numbers remains a significant challenge. In this work, we develop…
Efficiency of Battery Energy Storage Systems (BESSs) is increasingly critical as renewable energy generation becomes more prevalent on the grid. Therefore, it is necessary to study the energy efficiency of lithium-ion batteries, which are…
Numerical simulations have revolutionized the industrial design process by reducing prototyping costs, design iterations, and enabling product engineers to explore the design space more efficiently. However, the growing scale of simulations…
Degradation prediction for lithium-ion batteries using data-driven methods requires high-quality aging data. However, generating such data, whether in the laboratory or the field, is time- and resource-intensive. Here, we propose a method…
A significant problem associated with batteries is the rapid reduction of charge-storage capacity with increasing charge/discharge rate. For example, improving this rate-performance is required for fast-charging of car batteries.…
Understanding degradation in battery cathodes and other functional materials requires simultaneous knowledge of structural, chemical, and electronic changes in three dimensions (3D). Here, we present a simultaneous ADF-EDS-EELS tomography…
Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed…
The Li-ion battery is a complex physicochemical system that generally takes applied current as input and terminal voltage as output. The mappings from current to voltage can be described by several kinds of models, such as accurate but…
Organic Light Emitting Diodes (OLED) have experienced vast attention in the scientific literature as the leading contender for the next generation of electronic lighting technology. However, while research continues to push the limit for…
We present Parallel Feasible Pareto Frontier Entropy Search ($\{\text{PF}\}^2$ES) -- a novel information-theoretic acquisition function for multi-objective Bayesian optimization supporting unknown constraints and batch query. Due to the…