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Editorial Board

Editor-in-Chief
Yaroslava Yingling Yaroslava Yingling
ORCID https://orcid.org/0000-0002-8557-9992
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
Eckart Bindewald 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

Yibin Xu Yibin Xu
ORCID https://orcid.org/0000-0001-8600-8748
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
Sanket Deshmukh Sanket Deshmukh
ORCID https://orcid.org/0000-0001-7573-0057
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

Olexandr Isayev Olexandr Isayev
ORCID https://orcid.org/0000-0001-7581-8497
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

Dane Morgan Dane Morgan
ORCID https://orcid.org/0000-0002-4911-0046
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

Dongwon Shin Dongwon Shin
ORCID https://orcid.org/0000-0002-5797-3423
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
Prasanna Balachandran Prasanna Balachandran
ORCID https://orcid.org/0000-0002-7496-5521
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

Nav Nidhi Rajput Nav Nidhi Rajput
ORCID http://orcid.org/0000-0003-4740-8217
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

Martin Seifrid Martin Seifrid
ORCID https://orcid.org/0000-0001-5238-0058
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)