Editor-in-Chief
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Yaroslava Yingling![]() Kobe Steel Distinguished Professor Department of Materials Science and Engineering North Caroline State University, USA Email: yara_yingling@ncsu.edu Website: https://www.mse.ncsu.edu/yingling/ Research areas: materials informatics and applications of machine learning to soft materials design, in silico materials characterization, large-scale molecular dynamics simulations of processes at bio-organic and bio-inorganic surfaces and interfaces, molecular modeling of self-assembly and folding of DNA and RNA-based nanomaterials, three-dimensional structure prediction of proteins and nucleic acids |
Advisory Editors
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Eckart Bindewald Adjunct Instructor of Bioinformatics, Hood College Lead Data Scientist, Precise Software Solutions, Inc. Email: bindewald@hood.edu Website: https://scholar.google.com/citations?user=d8x15LUAAAAJ&hl=en Research areas: Computational RNA design |
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Yibin Xu![]() Deputy Director of Research and Services Division of Materials Data and Integrated System National Institute for Materials Science, Japan Email: xu.yibin@nims.go.jp Website: https://samurai.nims.go.jp/profiles/xu_yibin?locale=en Research areas: Composite materials, thermal conductivity, interfaces, materials data, data systems |
Editorial Board Members
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Sanket Deshmukh![]() Associate Professor Department of Chemical Engineering Virginia Tech, USA Email: sanketad@vt.edu Website: https://che.vt.edu/People/faculty/Deshmukh.html Research areas: development of computer code for acceleration of molecular dynamics on ultra-high performance petascale supercomputers; development of simulation techniques and coarse-grained models to study tribology at nano- to meso-scale and effect of surface chemistry, mechanical chemistry, and surrounding environment on friction; structure-property relationships in soft- and bio-materials; corrosion |
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Olexandr Isayev![]() Associate Professor Department of Chemistry Carnegie Mellon University, USA Email: olexandr@olexandrisayev.com Website: https://www.cmu.edu/chemistry/people/faculty/isayev.html Research areas: Theoretical and computational chemistry, machine learning, cheminformatics, drug discovery, computer-aided molecular design, materials informatics |
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Dane Morgan![]() Harvey D. Spangler Professor of Engineering Department of Materials Science and Engineering University of Wisconsin-Madison, USA Email: ddmorgan@wisc.edu Website: https://energy.wisc.edu/about/energy-experts/dane-morgan Research areas: Computational materials science for materials design, ab initio electronic structure methods and multiscale techniques for large time/length scales and thermokinetics, ab initio based modeling of electrochemical systems and processes, nuclear materials, battery and fuel cell electrodes, earth mantle materials, electronic materials |
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Dongwon Shin![]() Senior R&D Staff Member Materials Science and Technology Division Oak Ridge National Laboratory, USA Email: shind@ornl.gov Website: https://www.ornl.gov/staff-profile/dongwon-shin Research areas: Machine learning and artificial intelligence for materials design, computational thermodynamics, first-principles calculations based on density functional theory, integrated computational materials engineering, phase stabilities and properties prediction of energy materials, structural materials (metal alloys and ceramics), nuclear materials |
Early Career Board Members
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Prasanna Balachandran![]() Assistant Professor Department of Materials Science Department of Mechanical & Aerospace Engineering University of Virginia, USA Email: pvb5e@virginia.edu Website: https://engineering.virginia.edu/faculty/prasanna-balachandran Research areas: materials informatics, density functional theory, machine learning, Bayesian inference, optimal design methods applied to accelerate the search and discovery of novel 2D materials, metallic alloys, ferroic and electronic materials |
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Nav Nidhi Rajput![]() Assistant Professor Department of Materials Science and Chemical Engineering Stony Brook University, USA Email: navnidhi.rajput@stonybrook.edu Website: https://www.stonybrook.edu/commcms/matscieng/people/_core/nav_nidhi_rajput Research areas: computational studies of materials for energy storage devices and electrocatalysis, fluids and solid/fluid interfaces, surrogate machine learning-based models |
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Martin Seifrid![]() Assistant Professor Department of Materials Science and Engineering North Carolina State University, USA Email: m_seifrid@ncsu.edu Website: https://www.mse.ncsu.edu/people/mtseifri/ Research areas: organic mixed ionic-electronic conductors, self-driving labs (automated experiments guided by machine learning) |