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David Sherrill
Charles David Sherrill is a professor of chemistry and computational science and engineering at Georgia Tech working in the areas of theoretical chemistry, computational quantum chemistry, and scientific computing. His research focuses on the development and application of theoretical methods for non-covalent interactions between molecules. He is the lead principal investigator of the Psi open-source quantum chemistry program. Life and education Born in Chattanooga, Tennessee (April 5, 1970), Sherrill received his S.B. in chemistry from MIT. He received his Ph.D. in 1996 from the University of Georgia, working with Professor Henry F. Schefer, III on highly correlated configuration interaction methods. He was an NSF Postdoctoral Fellow in the laboratory of Martin Head-Gordon at the University of California, Berkeley. Career In 1999, Sherrill joined the faculty of the school of chemistry and biochemistry at Georgia Tech. He joined the school of computational science and e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
United States
The United States of America (U.S.A. or USA), commonly known as the United States (U.S. or US) or America, is a country primarily located in North America. It consists of 50 U.S. state, states, a Washington, D.C., federal district, five major unincorporated territories, nine United States Minor Outlying Islands, Minor Outlying Islands, and 326 Indian reservations. The United States is also in Compact of Free Association, free association with three Oceania, Pacific Island Sovereign state, sovereign states: the Federated States of Micronesia, the Marshall Islands, and the Palau, Republic of Palau. It is the world's List of countries and dependencies by area, third-largest country by both land and total area. It shares land borders Canada–United States border, with Canada to its north and Mexico–United States border, with Mexico to its south and has maritime borders with the Bahamas, Cuba, Russia, and other nations. With a population of over 333 million, it is the List of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
The Journal Of Chemical Physics
''The Journal of Chemical Physics'' is a scientific journal published by the American Institute of Physics that carries research papers on chemical physics."About the Journal" from the ''Journal of Chemical Physics'' website. Two volumes, each of 24 issues, are published annually. It was established in 1933 when '''' editors refused to publish theoretical works. The editors have been: *2019-present: Tim Lian *2008–2018: Marsha I. Lester *2007–2008: [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
1970 Births
Events January * January 1 – Unix time epoch reached at 00:00:00 UTC. * January 5 – The 7.1 Tonghai earthquake shakes Tonghai County, Yunnan province, China, with a maximum Mercalli intensity of X (''Extreme''). Between 10,000 and 14,621 were killed and 26,783 were injured. * January 14 – Biafra capitulates, ending the Nigerian Civil War. * January 15 – After a 32-month fight for independence from Nigeria, Biafran forces under Philip Effiong formally surrender to General Yakubu Gowon. February * February 1 – The Benavídez rail disaster near Buenos Aires, Argentina, kills 236. * February 10 – An avalanche at Val-d'Isère, France, kills 41 tourists. * February 11 – '' Ohsumi'', Japan's first satellite, is launched on a Lambda-4 rocket. * February 22 – Guyana becomes a Republic within the Commonwealth of Nations. March * March 1 – Rhodesia severs its last tie with the United Kingdom, declaring itself a republic. * March 4 — All ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fellows Of The American Chemical Society
{{disambiguation ...
Fellows may refer to Fellow, in plural form. Fellows or Fellowes may also refer to: Places *Fellows, California, USA *Fellows, Wisconsin, ghost town, USA Other uses *Fellows Auctioneers, established in 1876. *Fellowes, Inc., manufacturer of workspace products *Fellows, a partner in the firm of English canal carriers, Fellows Morton & Clayton *Fellows (surname) See also *North Fellows Historic District, listed on the National Register of Historic Places in Wapello County, Iowa *Justice Fellows (other) Justice Fellows may refer to: * Grant Fellows (1865–1929), associate justice of the Michigan Supreme Court *Raymond Fellows Raymond Fellows (1885 – September 3, 1957), of Bucksport, Maine, was a justice of the Maine Supreme Judicial Court fro ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Chemists
American(s) may refer to: * American, something of, from, or related to the United States of America, commonly known as the "United States" or "America" ** Americans, citizens and nationals of the United States of America ** American ancestry, people who self-identify their ancestry as "American" ** American English, the set of varieties of the English language native to the United States ** Native Americans in the United States, indigenous peoples of the United States * American, something of, from, or related to the Americas, also known as "America" ** Indigenous peoples of the Americas * American (word), for analysis and history of the meanings in various contexts Organizations * American Airlines, U.S.-based airline headquartered in Fort Worth, Texas * American Athletic Conference, an American college athletic conference * American Recordings (record label), a record label previously known as Def American * American University, in Washington, D.C. Sports teams Soccer * ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemists
Computation is any type of arithmetic or non-arithmetic calculation that follows a well-defined model (e.g., an algorithm). Mechanical or electronic devices (or, historically, people) that perform computations are known as '' computers''. An especially well-known discipline of the study of computation is computer science. Physical process of Computation Computation can be seen as a purely physical process occurring inside a closed physical system called a computer. Examples of such physical systems are digital computers, mechanical computers, quantum computers, DNA computers, molecular computers, microfluidics-based computers, analog computers, and wetware computers. This point of view has been adopted by the physics of computation, a branch of theoretical physics, as well as the field of natural computing. An even more radical point of view, pancomputationalism (inaudible word), is the postulate of digital physics that argues that the evolution of the universe is itself a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemists
A theory is a rational type of abstract thinking about a phenomenon, or the results of such thinking. The process of contemplative and rational thinking is often associated with such processes as observational study or research. Theories may be scientific, belong to a non-scientific discipline, or no discipline at all. Depending on the context, a theory's assertions might, for example, include generalized explanations of how nature works. The word has its roots in ancient Greek, but in modern use it has taken on several related meanings. In modern science, the term "theory" refers to scientific theories, a well-confirmed type of explanation of nature, made in a way consistent with the scientific method, and fulfilling the criteria required by modern science. Such theories are described in such a way that scientific tests should be able to provide empirical support for it, or empirical contradiction (" falsify") of it. Scientific theories are the most reliable, rigorous, and com ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Data Science
Data science is an interdisciplinary field that uses scientific methods, processes, algorithms and systems to extract or extrapolate knowledge and insights from noisy, structured and unstructured data, and apply knowledge from data across a broad range of application domains. Data science is related to data mining, machine learning, big data, computational statistics and analytics. Data science is a "concept to unify statistics, data analysis, informatics, and their related methods" in order to "understand and analyse actual phenomena" with data. It uses techniques and theories drawn from many fields within the context of mathematics, statistics, computer science, information science, and domain knowledge. However, data science is different from computer science and information science. Turing Award winner Jim Gray imagined data science as a "fourth paradigm" of science ( empirical, theoretical, computational, and now data-driven) and asserted that "everything about s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Association For The Advancement Of Science
The American Association for the Advancement of Science (AAAS) is an American international non-profit organization with the stated goals of promoting cooperation among scientists, defending scientific freedom, encouraging scientific responsibility, and supporting scientific education and science outreach for the betterment of all humanity. It is the world's largest general scientific society, with over 120,000 members, and is the publisher of the well-known scientific journal ''Science''. History Creation The American Association for the Advancement of Science was created on September 20, 1848, at the Academy of Natural Sciences in Philadelphia, Pennsylvania. It was a reformation of the Association of American Geologists and Naturalists. The society chose William Charles Redfield as their first president because he had proposed the most comprehensive plans for the organization. According to the first constitution which was agreed to at the September 20 meeting, the goal ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Chemical Society
The American Chemical Society (ACS) is a scientific society based in the United States that supports scientific inquiry in the field of chemistry. Founded in 1876 at New York University, the ACS currently has more than 155,000 members at all degree levels and in all fields of chemistry, chemical engineering, and related fields. It is one of the world's largest scientific societies by membership. The ACS is a 501(c)(3) non-profit organization and holds a congressional charter under Title 36 of the United States Code. Its headquarters are located in Washington, D.C., and it has a large concentration of staff in Columbus, Ohio. The ACS is a leading source of scientific information through its peer-reviewed scientific journals, national conferences, and the Chemical Abstracts Service. Its publications division produces over 60 scholarly journals including the prestigious ''Journal of the American Chemical Society'', as well as the weekly trade magazine '' Chemical & Engineeri ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Physical Society
The American Physical Society (APS) is a not-for-profit membership organization of professionals in physics and related disciplines, comprising nearly fifty divisions, sections, and other units. Its mission is the advancement and diffusion of knowledge of physics. The society publishes more than a dozen scientific journals, including the prestigious ''Physical Review'' and '' Physical Review Letters'', and organizes more than twenty science meetings each year. APS is a member society of the American Institute of Physics. Since January 2021 the organization has been led by chief executive officer Jonathan Bagger. History The American Physical Society was founded on May 20, 1899, when thirty-six physicists gathered at Columbia University for that purpose. They proclaimed the mission of the new Society to be "to advance and diffuse the knowledge of physics", and in one way or another the APS has been at that task ever since. In the early years, virtually the sole activity of th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Symmetry-adapted Perturbation Theory
Symmetry-adapted perturbation theory or SAPT is a methodology in electronic structure theory developed to describe non-covalent interactions between atoms and/or molecules. SAPT is a member of the family of methods known as energy decomposition analysis (EDA). Most EDA methods decompose a total interaction energy that is computed via a ''supermolecular'' approach, such that: \Delta E_=E_-E_-E_ where \Delta E_ is the total interaction energy obtained via subtracting isolated monomer energies E_ and E_ from the dimer energy E_. A key deficiency of the supermolecular interaction energy is that it is susceptible to basis set superposition error (BSSE). The major difference between SAPT and supermolecular EDA methods is that, as the name suggests, SAPT computes the interaction energy ''directly'' via a perturbative approach. One consequence of capturing the total interaction energy as a perturbation to the total system energy rather than using the subtractive supermolecular method outli ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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