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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 science, scientific study of the properties and behavior of matter. It is a natural science that covers the Chemical element, elements that make up matter to the chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a Chemical reaction, reaction 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 properties ... [...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. 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 also known as PNNL. Facilities PNNL houses several scientific user facilities and research facilities. Scientific user 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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1960 Births
Year 196 ( CXCVI) was a leap year starting on Thursday (link will display the full calendar) of the Julian calendar. At the time, it was known as the Year of the Consulship of Dexter and Messalla (or, less frequently, year 949 ''Ab urbe condita''). The denomination 196 for this year has been used since the early medieval period, when the Anno Domini calendar era became the prevalent method in Europe for naming years. Events By place Roman Empire * Emperor Septimius Severus attempts to assassinate Clodius Albinus but fails, causing Albinus to retaliate militarily. * Emperor Septimius Severus captures and sacks Byzantium; the city is rebuilt and regains its previous prosperity. * In order to assure the support of the Roman legion in Germany on his march to Rome, Clodius Albinus is declared Augustus by his army while crossing Gaul. * Hadrian's wall in Britain is partially destroyed. China * First year of the '' Jian'an era of the Chinese Han Dynasty. * Emperor Xian o ... [...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) Answer commonly refers to response to a question. Answer may also refer to: * Answer (law), any reply to a question, counter-statem ... [...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'' were 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 that 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. The electrons that transferred from NADH and FADH2 to the ETC involves 4 multi-subunit large enzymes complexes and 2 mobile electron carriers. Many of the enzymes in the electron transport chain are membrane-bound. 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 r ... [...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 electron cor ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
High-performance Computing
High-performance computing (HPC) uses 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. The term is most commonly associated with computing used for scientific research or ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation 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. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments, vi ... [...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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
National Academies Of Sciences, Engineering, And Medicine
The National Academies of Sciences, Engineering, and Medicine (also known as NASEM or the National Academies) are the collective scientific national academy of the United States. The name is used interchangeably in two senses: (1) as an umbrella term for its three quasi-independent honorific member organizations the National Academy of Sciences (NAS), the National Academy of Engineering (NAE), and the National Academy of Medicine (NAM); and (2) as the brand for studies and reports issued by the operating arm of the three academies, the National Research Council (NRC). The NRC was first formed in 1916 as an activity of the NAS. Now jointly governed by all three academies, the NRC produces some 200 publications annually which are published by the National Academies Press. The reports produced by the National Academies have been characterized as reflective of scientific consensus. History The US National Academy of Sciences was created by an Act of Incorporation dated March 3, 18 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bill Gropp
William Douglas Gropp is the director of the National Center for Supercomputing Applications (NCSA) and the Thomas M. Siebel Chair in the Department of Computer Science at the University of Illinois at Urbana–Champaign. He is also the founding Director of the Parallel Computing Institute. Gropp helped to create the Message Passing Interface, also known as MPI, and the Portable, Extensible Toolkit for Scientific Computation, also known as PETSc. Gropp was awarded the Sidney Fernbach Award in 2008, "for outstanding contributions to the development of domain decomposition algorithms, scalable tools for the parallel numerical solution of PDEs, and the dominant HPC communications interface". In 2016, he was awarded the ACM/IEEE-CS Ken Kennedy Award "For highly influential contributions to the programmability of high-performance parallel and distributed computers, and extraordinary service to the profession." In 2009, Gropp received an R&D 100 Award for PETSc. In February 2010 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
