Lawrence Livermore National Laboratory (LLNL) is a federally funded research and development center in California, United States. Originally established in 1952, the laboratory now is sponsored by the United States Department of Energy and administered privately by Lawrence Livermore National Security, LLC.
Argonne National Laboratory is a federally funded research and development center in Lemont, Illinois, United States. Founded in 1946, the laboratory is owned by the United States Department of Energy and administered by UChicago Argonne LLC of the University of Chicago. The facility is the largest national laboratory in the Midwest.
Charles Henry Bennett is a physicist, information theorist and IBM Fellow at IBM Research. Bennett's recent work at IBM has concentrated on a re-examination of the physical basis of information, applying quantum physics to the problems surrounding information exchange. He has played a major role in elucidating the interconnections between physics and information, particularly in the realm of quantum computation, but also in cellular automata and reversible computing. He discovered, with Gilles Brassard, the concept of quantum cryptography and is one of the founding fathers of modern quantum information theory.
Farid F. Abraham is an American scientist.
Benoît Roux is an Amgen Professor of Biochemistry and Molecular Biophysics at the University of Chicago. He has previously taught at University of Montreal and Weill Medical College of Cornell University. Benoît Roux was a recipient of the 1998 Rutherford Memorial Medal in Chemistry, awarded by the Royal Society of Canada.
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.
Anna Igorevna Krylov is the USC Associates Chair in Natural Sciences and Professor of Chemistry at the University of Southern California (USC). Working in the field of theoretical and computational quantum chemistry, she is the inventor of the spin-flip method. Krylov is the president of Q-Chem, Inc. and an elected member of the International Academy of Quantum Molecular Science, the Academia Europaea, and the American Academy of Sciences and Letters.
Aneesur Rahman was an Indian-born American physicist who pioneered the application of computational methods to physical systems. His 1964 paper on liquid argon studied a system of 864 argon atoms on a CDC 3600 computer, using a Lennard-Jones potential. His algorithms still form the basis for many codes written today. Moreover, he worked on a wide variety of problems, such as the microcanonical ensemble approach to lattice gauge theory, which he invented with David J E Callaway.
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.
MADNESS is a high-level software environment for the solution of integral and differential equations in many dimensions using adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysis and separated representations .
Martin Gruebele is a German-born American physical chemist and biophysicist who is currently emeritus James R. Eiszner Chair in Chemistry, Professor of Physics, Professor of Biophysics and Computational Biology at the University of Illinois Urbana-Champaign.
Emily A. Carter is the Gerhard R. Andlinger Professor in Energy and the Environment and a professor of Mechanical and Aerospace Engineering (MAE), the Andlinger Center for Energy and the Environment (ACEE), and Applied and Computational Mathematics at Princeton University. She is also a member of the executive management team at the Princeton Plasma Physics Laboratory (PPPL), serving as Senior Strategic Advisor and Associate Laboratory Director for Applied Materials and Sustainability Sciences.
The Pritzker School of Molecular Engineering (PME) is the first school of engineering at the University of Chicago. It was founded as the Institute for Molecular Engineering in 2011 by the university in partnership with Argonne National Laboratory. When the program was raised to the status of a school in 2019, it became the first school dedicated to molecular engineering in the United States. It is named for a major benefactor, the Pritzker Foundation.
Amanda Randles is an American computer scientist who is the Alfred Winborne and Victoria Stover Mordecai Associate Professor of Biomedical Sciences at Duke University. Randles is an associate professor of biomedical engineering with secondary appointments in computer science, mathematics, and mechanical engineering and materials science. She is a member of the Duke Cancer Institute. Her research interests include biomedical simulation, machine learning, computational fluid dynamics, and high-performance computing.
Larry A. Curtiss is an American chemist and researcher. He was born in Madison. WI. in 1947. He is a distinguished fellow and group leader of the Molecular Materials Group in the Materials Science Division at the U.S. Department of Energy's (DOE) Argonne National Laboratory. In addition, Curtiss is a senior investigator in the Joint Center for Energy Storage Research (JCESR), a DOE Energy Storage Hub, and was the deputy director of the Center for Electrochemical Energy Science, a DOE Energy Frontier Research Center.
Qbox is an open-source software package for atomic-scale simulations of molecules, liquids and solids. It implements first principles molecular dynamics, a simulation method in which inter-atomic forces are derived from quantum mechanics. Qbox is released under a GNU General Public License (GPL) with documentation provided at http://qboxcode.org. It is available as a FreeBSD port.
Dr. Santanu Chaudhuri is a researcher and the director of Manufacturing Science and Engineering, Argonne National Laboratory.
Mary Ann Ruth Mansigh Karlsen was an American computer programmer who was active in the 1950s in the use of scientific computers.
Hai-Ping Cheng is a Chinese-American physicist whose "research crosses the boundaries between many sciences, such as chemistry, materials science, and engineering". Much of her research concerns the computational simulation of nanostructures, including nanowires and nanotubes. She is also a member of the LIGO Scientific Collaboration, with whom she is a coauthor of highly cited work on binary black holes and the gravitational waves they emit. She is a professor of physics at the University of Florida, where she directs both the Quantum Theory Project and the Center for Molecular Magnetic Quantum Materials.
