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Robert J. Harrison
Robert J. Harrison (born June 19, 1960) is a distinguished expert in high-performance computing. He is a professor in the Applied Mathematics and Statistics department and founding Director of the Institute for Advanced Computational Science at Stony Brook University with a $20M endowment. Through a joint appointment with Brookhaven National Laboratory, Professor Harrison has also been named Director of the Computational Science Center and New York Center for Computational Sciences at Brookhaven. Dr. Harrison comes to Stony Brook from the University of Tennessee and Oak Ridge National Laboratory, where he was Director of the Joint Institute of Computational Science, Professor of Chemistry and Corporate Fellow. He has a prolific career in high-performance computing with over one hundred publications on the subject, as well as extensive service on national advisory committees. He has many publications in peer-reviewed journals in the areas of theoretical and computational chemi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a physical science within the natural sciences that studies the chemical elements that make up matter and chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during chemical reaction, reactions with other chemical substance, substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both Basic research, basic and Applied science, applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the prop ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pacific Northwest National Laboratory
Pacific Northwest National Laboratory (PNNL) is one of the United States Department of Energy national laboratories, managed by the Department of Energy's (DOE) Office of Science. The main campus of the laboratory is in Richland, Washington, with additional research facilities around the country. Originally named the Pacific Northwest Laboratory, PNL was established in 1965 when research and development at the Hanford Site was separated from other Hanford operations. In 1995, the laboratory was renamed the Pacific Northwest National Laboratory (PNNL). Research facilities The Environmental Molecular Sciences Laboratory (EMSL) is a U.S. Department of Energy national scientific user facility. EMSL provides researchers around the world with integrated capabilities in oxide and mineral interface chemistry, high-performance computing and computational chemistry software, mass spectrometry, high-field magnetic resonance, and subsurface flow and transport research. The Biopr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1960 Births
It is also known as the " Year of Africa" because of major events—particularly the independence of seventeen African nations—that focused global attention on the continent and intensified feelings of Pan-Africanism. Events January * January 1 – Cameroon becomes independent from France. * January 9– 11 – Aswan Dam construction begins in Egypt. * January 10 – British Prime Minister Harold Macmillan makes the "Wind of Change" speech for the first time, to little publicity, in Accra, Gold Coast (modern-day Ghana). * January 19 – A revised version of the Treaty of Mutual Cooperation and Security between the United States and Japan ("U.S.-Japan Security Treaty" or "''Anpo (jōyaku)''"), which allows U.S. troops to be based on Japanese soil, is signed in Washington, D.C. by Prime Minister Nobusuke Kishi and President Dwight D. Eisenhower. The new treaty is opposed by the massive Anpo protests in Japan. * January 21 ** Coalbrook mining disaster: A coal mine ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Response Theory
Response may refer to: *Call and response (music), musical structure *Reaction (other) *Request–response **Output or response, the result of telecommunications input *Response (liturgy), a line answering a versicle *Response (music) or antiphon, a response to a psalm or other part of a religious service *Response, a phase in emergency management *Response rate (survey) Proper names and titles *''Response'', a print and online magazine of Christian thought published by Seattle Pacific University * ''Response'' (album), a studio album by Phil Wickham *Response (company), a call centre company based in Scotland * ''The Response'' (film) *The National War Memorial (Canada), titled ''The Response'' *The Northumberland Fusiliers Memorial in Newcastle upon Tyne, titled "The Response" See also *Action (other) *Answer (other) *Reply (other) *Response variable, or the realization thereof *Responsions, an examination formerly required for a degree at Ox ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Relativistic Quantum Chemistry
Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals. The term ''relativistic effects'' was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity. Relativistic effects are those discrepancies between values calculated by models that consider relativity and those that do not. Relativistic effects are important for heavier elements with high atomic numbers, such as lanthanides and actinides. Relativistic effects in chemistry can be considered to be perturbations, or small corrections, to the non-relativistic theory of chemistry, which is developed from the solutions of the Schrödinger equation. These corrections affect the el ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Transport
An electron transport chain (ETC) is a series of protein complexes and other molecules which transfer electrons from electron donors to electron acceptors via redox reactions (both reduction and oxidation occurring simultaneously) and couples this electron transfer with the transfer of protons (H+ ions) across a membrane. Many of the enzymes in the electron transport chain are embedded within the membrane. The flow of electrons through the electron transport chain is an exergonic process. The energy from the redox reactions creates an electrochemical proton gradient that drives the synthesis of adenosine triphosphate (ATP). In aerobic respiration, the flow of electrons terminates with molecular oxygen as the final electron acceptor. In anaerobic respiration, other electron acceptors are used, such as sulfate. In an electron transport chain, the redox reactions are driven by the difference in the Gibbs free energy of reactants and products. The free energy released when a higher-e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Correlation
Electronic correlation is the interaction between electrons in the electronic structure of a quantum system. The correlation energy is a measure of how much the movement of one electron is influenced by the presence of all other electrons. Atomic and molecular systems Within the Hartree–Fock method of quantum chemistry, the antisymmetric wave function is approximated by a single Slater determinant. Exact wave functions, however, cannot generally be expressed as single determinants. The single-determinant approximation does not take into account Coulomb correlation, leading to a total electronic energy different from the exact solution of the non-relativistic Schrödinger equation within the Born–Oppenheimer approximation. Therefore, the Hartree–Fock limit is always above this exact energy. The difference is called the ''correlation energy'', a term coined by Löwdin. The concept of the correlation energy was studied earlier by Wigner. A certain amount of electr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
High-performance Computing
High-performance computing (HPC) is the use of supercomputers and computer clusters to solve advanced computation problems. Overview HPC integrates systems administration (including network and security knowledge) and parallel programming into a multidisciplinary field that combines digital electronics, computer architecture, system software, programming languages, algorithms and computational techniques. HPC technologies are the tools and systems used to implement and create high performance computing systems. Recently, HPC systems have shifted from supercomputing to computing clusters and grids. Because of the need of networking in clusters and grids, High Performance Computing Technologies are being promoted by the use of a collapsed network backbone, because the collapsed backbone architecture is simple to troubleshoot and upgrades can be applied to a single router as opposed to multiple ones. HPC integrates with data analytics in AI engineering workflows to generate ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules, groups of molecules, and solids. The importance of this subject stems from the fact that, with the exception of some relatively recent findings related to the hydrogen molecular ion (dihydrogen cation), achieving an accurate quantum mechanical depiction of chemical systems analytically, or in a closed form, is not feasible. The complexity inherent in the many-body problem exacerbates the challenge of providing detailed descriptions of quantum mechanical systems. While computational results normally complement information obtained by chemical experiments, it can occasionally predict unobserved chemical phenomena. Overview Computational chemistry differs from theoretical chemistry, which involves a mathematical description of chem ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Future Directions For NSF Advanced Computing Infrastructure To Support U
The future is the time after the past and present. Its arrival is considered inevitable due to the existence of time and the laws of physics. Due to the apparent nature of reality and the unavoidability of the future, everything that currently exists and will exist can be categorized as either permanent, meaning that it will exist forever, or temporary, meaning that it will end. In the Occidental view, which uses a linear conception of time, the future is the portion of the projected timeline that is anticipated to occur. In special relativity, the future is considered absolute future, or the future light cone. In the philosophy of time, presentism is the belief that only the present exists and the future and the past are unreal. Religions consider the future when they address issues such as karma, life after death, and eschatologies that study what the end of time and the end of the world will be. Religious figures such as prophets and diviners have claimed to see into the fu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
