Peter V. Coveney is a Professor of Physical Chemistry, Honorary Professor of Computer Science, and the Director of the Centre for Computational Science (CCS) and Associate Director of the Advanced Research Computing Centre at University College London (UCL). He is also a Professor of Applied High Performance Computing at University of Amsterdam (UvA) and Professor Adjunct at the Yale School of Medicine, Yale University. He is a Fellow of the Royal Academy of Engineering and Member of Academia Europaea. Coveney is active in a broad area of interdisciplinary research including condensed matter physics and chemistry, materials science, as well as life and medical sciences in all of which high performance computing plays a major role. The citation about Coveney on his election as a FREng says: Coveney "has made outstanding contributions across a wide range of scientific and engineering fields, including physics, chemistry, chemical engineering, materials, computer science, high performance computing and biomedicine, much of it harnessing the power of supercomputing to conduct original research at unprecedented space and time scales. He has shown outstanding leadership across these fields, manifested through running multiple initiatives and multi-partner interdisciplinary grants, in the UK, Europe and the US. His achievements at national and international level in advocacy and enablement are exceptional".
Markus J. Buehler is an American materials scientist and engineer at the Massachusetts Institute of Technology (MIT), where he holds the endowed McAfee Professorship of Engineering chair. He is a member of the faculty at MIT's Department of Civil and Environmental Engineering, where he directs the Laboratory for Atomistic and Molecular Mechanics (LAMM), and also a member of MIT's Center for Computational Science and Engineering (CCSE) in the Schwarzman College of Computing. His scholarship spans science to art, and he is also a composer of experimental, classical and electronic music, with an interest in sonification. He has given several TED talks about his work.
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.
nanoHUB.org is a science and engineering gateway comprising community-contributed resources and geared toward education, professional networking, and interactive simulation tools for nanotechnology. Funded by the United States National Science Foundation (NSF), it is a product of the Network for Computational Nanotechnology (NCN). NCN supports research efforts in nanoelectronics; nanomaterials; nanoelectromechanical systems (NEMS); nanofluidics; nanomedicine, nanobiology; and nanophotonics.
The Center for Simulation of Advanced Rockets (CSAR) is an interdisciplinary research group at the University of Illinois at Urbana-Champaign, and is part of the United States Department of Energy's Advanced Simulation and Computing Program. CSAR's goal is to accurately predict the performance, reliability, and safety of solid propellant rockets.
Amanda Susan Barnard is an Australian theoretical physicist working in predicting the real world behavior of nanoparticles using analytical models and supercomputer simulations and applied machine learning. Barnard is a pioneer in the thermodynamic cartography of nanomaterials, creating nanoscale phase diagrams relevant to different environmental conditions, and relating these to structure/property maps. Her current research involves developing and applying statistical methods and machine/deep learning in nanoscience and nanotechnology, and materials and molecular informatics. In 2014 she became the first person in the southern hemisphere, and the first woman, to win the Feynman Prize in Nanotechnology, which she won for her work on diamond nanoparticles.
Supriyo Datta is an Indian–American researcher and author. A leading figure in the modeling and understanding of nano-scale electronic conduction, he has been called "one of the most original thinkers in the field of nanoscale electronics."
Gerhard Klimeck is a German-American scientist and author in the field of nanotechnology. He is a professor of Electrical and Computer Engineering at Purdue University School of Electrical and Computer Engineering.
The International Society for Nanoscale Science, Computation, and Engineering is a scientific society specializing in nanotechnology and DNA computing. It was started in 2004 by Nadrian Seeman, founder of the field of DNA nanotechnology. According to the society, its purpose is "to promote the study of the control of the arrangement of the atoms in matter, examine the principles that lead to such control, to develop tools and methods to increase such control, and to investigate the use of these principles for molecular computation, and for engineering on the finest possible scales."
Mark S. Lundstrom is an American electrical engineering researcher, educator, and author. He is known for contributions to the theory, modeling, and understanding of semiconductor devices, especially nanoscale transistors, and as the creator of the nanoHUB, a major online resource for nanotechnology. Lundstrom is Don and Carol Scifres Distinguished Professor of Electrical and Computer Engineering and in 2020 served as Acting Dean of the College of Engineering at Purdue University, in West Lafayette, Indiana.
Oleg V. Prezhdo is a Ukrainian–American physical chemist whose research focuses on non-adiabatic molecular dynamics and time-dependent density functional theory (TDDFT). His research interests range from fundamental aspects of semi-classical and quantum-classical physics to excitation dynamics in condensed matter and biological systems. His research group focuses on the development of new theoretical models and computational tools aimed at understanding chemical reactivity and energy transfer at a molecular level in complex condensed phase environment. Since 2014, he is a professor of chemistry and of physics & astronomy at the University of Southern California.
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.
This glossary of nanotechnology is a list of definitions of terms and concepts relevant to nanotechnology, its sub-disciplines, and related fields.
In the context of chemistry and molecular modelling, the Interface force field (IFF) is a force field for classical molecular simulations of atoms, molecules, and assemblies up to the large nanometer scale, covering compounds from across the periodic table. It employs a consistent classical Hamiltonian energy function for metals, oxides, and organic compounds, linking biomolecular and materials simulation platforms into a single platform. The reliability is often higher than that of density functional theory calculations at more than a million times lower computational cost. IFF includes a physical-chemical interpretation for all parameters as well as a surface model database that covers different cleavage planes and surface chemistry of included compounds. The Interface Force Field is compatible with force fields for the simulation of primarily organic compounds and can be used with common molecular dynamics and Monte Carlo codes. Structures and energies of included chemical elements and compounds are rigorously validated and property predictions are up to a factor of 100 more accurate relative to earlier models.
Rodney Dewayne Priestley is an American chemical engineer and professor at Princeton University. His research considers the phase transitions of polymers and their application in electronic devices and healthcare. In 2020 he was made the Princeton University Vice Dean of Innovation. He was named dean of The Graduate School effective June 1, 2022.
Arthi Jayaraman is an Indian-American scientist who is the Centennial Term Professor for Excellence in Research and Education at the University of Delaware. Her research considers the development of computational models to better understand polymer nanocomposites and biomaterials. Jayaraman was elected Fellow of the American Physical Society in 2020.
Prineha Narang is an American physicist and computational material scientist. She is a Professor of Physical Sciences and Howard Reiss Chair at the University of California, Los Angeles (UCLA). Narang currently serves as a U.S. Science Envoy approved by the Secretary of State to identify opportunities for science and technology cooperation. Before moving to UCLA, she was first an Environmental Fellow at Harvard University Center for the Environment and then an Assistant Professor in the John A. Paulson School of Engineering and Applied Sciences at Harvard University. Narang’s work has been recognized internationally by many awards and a variety of special designations, including the Mildred Dresselhaus Prize, the 2021 IUPAP Young Scientist Prize in Computational Physics, a Friedrich Wilhelm Bessel Research Award from the Alexander von Humboldt Foundation, and a Max Planck Sabbatical Award from the Max Planck Society. Narang also received a National Science Foundation CAREER Award in 2020, was named a Moore Inventor Fellow by the Gordon and Betty Moore Foundation for the development for a fundamentally new strategy for single molecule sensing and environmental toxin metrology using picoscale quantum sensors, CIFAR Azrieli Global Scholar by the Canadian Institute for Advanced Research, and a Top Innovator by MIT Tech Review. Narang was awarded a Guggenheim Fellowship in 2023.
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.
