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Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-15 Anees Al-Najjar , Nageswara S. V. Rao , Craig A. Bridges , Sheng Dai , Alex Walters

Materials acceleration platforms (MAPs) combine automation and artificial intelligence to accelerate the discovery of molecules and materials. They have potential to play a role in addressing complex societal problems such as climate…

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical…

We describe the development of a millifluidic based scanning droplet cell platform for rapid and automated corrosion. This system allows for measurement of corrosion properties (e.g., open circuit potential, corrosion current through Tafel…

Instrumentation and Detectors · Physics 2022-04-14 Howie Joress , Brian DeCost , Najlaa Hassan , Trevor M. Braun , Justin M. Gorham , Jason Hattrick-Simpers

Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…

Materials Science · Physics 2022-06-20 Rohan Casukhela , Sriram Vijayan , Joerg R. Jinschek , Stephen R. Niezgoda

Autonomous experimentation (AE) combines machine learning and research hardware automation in a closed loop, guiding subsequent experiments toward user goals. As applied to materials research, AE can accelerate materials exploration,…

Materials Science · Physics 2023-06-21 Felix Adams , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

High-throughput experimentation enables efficient search space exploration for the discovery and optimization of new materials. However, large search spaces of, e.g., compositionally complex materials, require decreasing characterization…

Materials Science · Physics 2023-07-03 Felix Thelen , Lars Banko , Rico Zehl , Sabrina Baha , Alfred Ludwig

Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsorbates, and electrolyte. Predicting stable surface structures…

Disordered molecular systems such as amorphous catalysts, organic thin films, electrolyte solutions, and water are at the cutting edge of computational exploration today. Traditional simulations of such systems at length-scales relevant to…

Mesoscale and Nanoscale Physics · Physics 2023-09-06 Ata Madanchi , Michael Kilgour , Frederik Zysk , Thomas D. Kühne , Lena Simine

A ''technology lottery'' describes a research idea or technology succeeding over others because it is suited to the available software and hardware, not necessarily because it is superior to alternative directions--examples abound, from the…

Artificial Intelligence · Computer Science 2022-11-10 Erik Peterson , Alexander Lavin

AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced…

We present an autonomous scanning droplet cell platform designed for on-demand alloy electrodeposition and real-time electrochemical characterization for investigating the corrosion-resistance properties of multicomponent alloys. Automation…

Materials Science · Physics 2022-04-01 Brian DeCost , Howie Joress , Suchismita Sarker , Apurva Mehta , Jason Hattrick-Simpers

The development of complex functional materials poses a multi-objective optimization problem in a large multidimensional parameter space. Solving it requires reproducible, user independent laboratory work and intelligent preselection of…

Electrochemical Impedance Spectroscopy (EIS) is a powerful tool for electrochemical analysis; however, its data can be challenging to interpret. Here, we introduce a new open-source tool named AutoEIS that assists EIS analysis by…

Electrochemical Impedance Spectroscopy (EIS) is a crucial technique for assessing corrosion of a metallic materials. The analysis of EIS hinges on the selection of an appropriate equivalent circuit model (ECM) that accurately characterizes…

Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge of the quality and errors of electronic-structure calculations is crucial to…

Autonomous Experimentation Platforms (AEPs) are advanced manufacturing platforms that, under intelligent control, can sequentially search the material design space (MDS) and identify parameters with the desired properties. At the heart of…

Machine Learning · Computer Science 2023-02-28 Ahmed Shoyeb Raihan , Imtiaz Ahmed

Microelectromechanical systems (MEMS) are currently supporting ground-breaking basic research in materials science and metallurgy as they allow in situ experiments on materials at the nanoscale within electron-microscopes in a wide variety…

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to lack of generalized methodologies and high cost of hardware. This paper focuses on the…

Robotics · Computer Science 2025-09-25 Xuan Cao , Yuxin Wu , Michael L. Whittaker

Solution-processed electrochromic materials offer high potential for energy-efficient smart windows and displays. Their performance varies with material choice and processing conditions. Electrochromic thin film electrodes require a smooth,…

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