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Electrochemistry ecosystems are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization…

Emerging Technologies · Computer Science 2023-10-11 Anees Al-Najjar , Nageswara S. V. Rao , Craig A. Bridges , Sheng Dai

Corrosion testing is slow, labor-intensive, and sensitive to operator technique, limiting the generation of large, high-quality datasets for data-driven materials discovery. The Materials Acceleration Platform for Electrochemistry (MAP-E)…

Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…

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…

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…

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are…

Advancements in scientific instrument sensors and connected devices provide unprecedented insight into ongoing experiments and present new opportunities for control, optimization, and steering. However, the diversity of sensors and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-04 Jakob R. Elias , Ryan Chard , Maksim Levental , Zhengchun Liu , Ian Foster , Santanu Chaudhuri

Automated laboratory experiments have the potential to propel new discoveries, while increasing reproducibility and improving scientists' safety when handling dangerous materials. However, many automated laboratory workflows have not fully…

Robotics · Computer Science 2025-06-26 Hatem Fakhruldeen , Gabriella Pizzuto , Jakub Glowacki , Andrew Ian Cooper

Chemical laboratory automation has long been constrained by rigid workflows and poor adaptability to the long-tail distribution of experimental tasks. While most automated platforms perform well on a narrow set of standardized procedures,…

Robotics · Computer Science 2026-03-26 Xiangyi Wei , Fei Wang , Haotian Zhang , Xin An , Haitian Zhu , Lianrui Hu , Yang Li , Changbo Wang , Xiao He

Despite the long history of electrochemistry, there is a lack of quantitative algorithms that rigorously correlate experiment with theory. Electrochemical modeling has had advanced across empirical, analytical, numerical, and data-driven…

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

Chemical reaction engineering is key to industrial might and sustainable chemistry. This will be enabled using smart, efficient catalysts or catalysis ecosystems. This is possible with advanced artificial intelligence and machine learning…

Chemical Physics · Physics 2026-03-09 Rigoberto Advincula , Jihua Chen

Advanced control, operation, and planning tools of electrical networks with ML are not straightforward. 110 experts were surveyed to show where and how ML algorithms could advance. This paper assesses this survey and research environment.…

Systems and Control · Electrical Eng. & Systems 2024-08-12 Jochen L. Cremer , Adrian Kelly , Ricardo J. Bessa , Milos Subasic , Panagiotis N. Papadopoulos , Samuel Young , Amar Sagar , Antoine Marot

Internet measurement research faces an accessibility crisis: complex analyses require custom integration of multiple specialized tools that demands specialized domain expertise. When network disruptions occur, operators need rapid…

Networking and Internet Architecture · Computer Science 2025-11-14 Alagappan Ramanathan , Eunju Kang , Dongsu Han , Sangeetha Abdu Jyothi

This systematic review focuses on analyzing the use of machine learning techniques for identifying and quantifying analytes in various electrochemical applications, presenting the available applications in the literature. Machine learning…

In this survey, we discuss the challenges of executing scientific workflows as well as existing Machine Learning (ML) techniques to alleviate those challenges. We provide the context and motivation for applying ML to each step of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-28 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

Combining microfluidic devices with nuclear magnetic resonance (NMR) has the potential of unlocking their vast sample handling and processing operation space for use with the powerful analytics provided by NMR. One particularly challenging…

IoT devices and sensor networks present new opportunities for measuring, monitoring, and guiding scientific experiments. Sensors, cameras, and instruments can be combined to provide previously unachievable insights into the state of ongoing…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-29 Jakob R. Elias , Ryan Chard , Joseph A. Libera , Ian Foster , Santanu Chaudhuri

Scanning Transmission Electron Microscopy (STEM) coupled with Electron Energy Loss Spectroscopy (EELS) presents a powerful platform for detailed material characterization via rich imaging and spectroscopic data. Modern electron microscopes…

Instrumentation and Detectors · Physics 2024-06-18 Utkarsh Pratiush , Austin Houston , Sergei V Kalinin , Gerd Duscher
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