Multiscale modeling or multiscale mathematics is the field of solving problems that have important features at multiple scales of time and/or space. Important problems include multiscale modeling of fluids, solids, polymers, proteins, nucleic acids as well as various physical and chemical phenomena.
Integrated Computational Materials Engineering (ICME) is an approach to design products, the materials that comprise them, and their associated materials processing methods by linking materials models at multiple length scales. Key words are "Integrated", involving integrating models at multiple length scales, and "Engineering", signifying industrial utility. The focus is on the materials, i.e. understanding how processes produce material structures, how those structures give rise to material properties, and how to select materials for a given application. The key links are process-structures-properties-performance. The National Academies report describes the need for using multiscale materials modeling to capture the process-structures-properties-performance of a material.
This is a list of computer programs that are predominantly used for molecular mechanics calculations.
Yuwen Zhang is a Chinese American professor of mechanical engineering who is well known for his contributions to phase change heat transfer. He is presently a Curators' Distinguished Professor and Huber and Helen Croft Chair in Engineering in the Department of Mechanical and Aerospace Engineering at the University of Missouri in Columbia, Missouri.
Materiomics is the holistic study of material systems. Materiomics examines links between physicochemical material properties and material characteristics and function. The focus of materiomics is system functionality and behavior, rather than a piecewise collection of properties, a paradigm similar to systems biology. While typically applied to complex biological systems and biomaterials, materiomics is equally applicable to non-biological systems. Materiomics investigates the material properties of natural and synthetic materials by examining fundamental links between processes, structures and properties at multiple scales, from nano to macro, by using systematic experimental, theoretical or computational methods.
The universality–diversity paradigm is the analysis of biological materials based on the universality and diversity of its fundamental structural elements and functional mechanisms. The analysis of biological systems based on this classification has been a cornerstone of modern biology.
Ken P. Chong is a Research Professor at The George Washington University and a former associate at the National Institute of Science and Technology (NIST). He was the Engineering Advisor, Interim Division Director and program director of Mechanics and Materials at various times for 21 years at the U.S. National Science Foundation. He has published over 200 refereed papers, and is the author or coauthor of twelve books including "Elasticity in Engineering Mechanics", "Intelligent Structures", "Modeling and Simulation-Based Life Cycle Engineering", "Mechanics of Oil Shale", and "Materials for the New Millennium". He has taught at the University of Wyoming, University of Hong Kong, University of Houston, and George Washington University [www.gwu.edu/] and had been visiting professor at MIT and University of Washington. Listed in Stanford University top 2% of scientists globally, Oct. 2022
Alejandro Strachan is a scientist in the field of computational materials and the Reilly Professor of Materials Engineering at Purdue University. Before joining Purdue University, he was a staff member at Los Alamos National Laboratory.
Yonggang Huang is the Jan and Marcia Achenbach Professor of Mechanical Engineering at Northwestern University.
Dimitris Drikakis, PhD, FRAeS, CEng, is a Greek-British applied scientist, engineer and university professor. His research is multidisciplinary. It covers fluid dynamics, computational fluid dynamics, acoustics, heat transfer, computational science from molecular to macro scale, materials, machine learning, and emerging technologies. He has applied his research to diverse fields such as Aerospace & Defence, Biomedical, and Energy and Environment Sectors. He received The William Penney Fellowship Award by the Atomic Weapons Establishment to recognise his contributions to compressible fluid dynamics. He was also the winner of NEF's Innovator of the Year Award by the UK's Institute of Innovation and Knowledge Exchange for a new generation carbon capture nanotechnology that uses carbon nanotubes for filtering out carbon dioxide and other gases.
George Em Karniadakis is a professor of applied mathematics at Brown University. He is a Greek-American researcher who is known for his wide-spectrum work on high-dimensional stochastic modeling and multiscale simulations of physical and biological systems, and is a pioneer of spectral/hp-element methods for fluids in complex geometries, general polynomial chaos for uncertainty quantification, and the Sturm-Liouville theory for partial differential equations and fractional calculus.
Mark F. Horstemeyer is the Dean of the School of Engineering at Liberty University. He was the Giles Distinguished Professor at Mississippi State University (MSU) and professor in the Mechanical Engineering Department at Mississippi State University (2002–2018), holding a Chair position for the Center for Advanced Vehicular Systems (CAVS) in Computational Solid Mechanics; he was also the Chief Technical Officer for CAVS. Before coming to MSU, he worked for Sandia National Laboratories for fifteen years (1987-2002) in the area of multiscale modeling for design.
Charles Meneveau is a French-Chilean born American fluid dynamicist, known for his work on turbulence, including turbulence modeling and computational fluid dynamics.
Franz-Josef Ulm is a structural engineer, an engineering scientist and a professor since 1999. He is Professor of Civil & Environmental Engineering at the Massachusetts Institute of Technology (MIT), the Faculty Director of the Concrete Sustainability Hub (CSHub@MIT). He is credited for discovering the nanogranular structure of Calcium-Silicate-Hydrates (C-S-H), the binding phase of concrete, and for the development of concepts of nanoengineering of concrete which combine advanced nanomechanics experiments with molecular simulation results. He speaks up for an environmental sustainable engineering, with "greener" concrete with lower CO2 footprint, to reduce the carbon footprint of concrete; to enhance concrete's resilience; and reduce its impact on global warming.
Lallit Anand is the Warren and Towneley Rohsenow Professor of Mechanical Engineering at the Massachusetts Institute of Technology (MIT). His research focuses on solid mechanics and large deformation plasticity theory. He has received numerous awards and accolades for his significant contributions to the field of applied mechanics and mechanical engineering.
Computational materials science and engineering uses modeling, simulation, theory, and informatics to understand materials. The main goals include discovering new materials, determining material behavior and mechanisms, explaining experiments, and exploring materials theories. It is analogous to computational chemistry and computational biology as an increasingly important subfield of materials science.
Hashem Rafii-Tabar is a British-Iranian professor and scientist within computational physics and nanoscience. He is primarily known for his contribution to the computational physics of nanostructures with important applications such as Carbon Nanotubes.
Somnath Ghosh is the Michael G. Callas Chair Professor in the Department of Civil & Systems Engineering and a Professor of Mechanical Engineering and Materials Science & Engineering at Johns Hopkins University (JHU). He is the founding director of the JHU Center for Integrated Structure-Materials Modeling and Simulation (CISMMS) and was the director of an Air Force Center of Excellence in Integrated Materials Modeling (CEIMM). Prior to his appointment at JHU, Ghosh was the John B. Nordholt Professor of Mechanical Engineering and Materials Science & Engineering at Ohio State University. He is a fellow of several professional societies, including the American Association for the Advancement of Science (AAAS).
Eleni Chatzi is a Greek civil engineer, researcher, and a professor and Chair of Structural Mechanics and Monitoring at the Department of Civil, Environmental and Geomatic Engineering of the Swiss Federal Institute of Technology in Zurich.
Gregory M. Odegard is a materials researcher and academic. He is the John O. Hallquist Endowed Chair in Computational Mechanics in the Department of Mechanical Engineering – Engineering Mechanics at Michigan Technological University and the director of the NASA Institute for Ultra-Strong Composites by Computational Design.
