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Michael L. Klein
Michael Lawrence Klein (born March 13, 1940, in London, England) is Laura H. Carnell Professor of Science and director of the Institute for Computational Molecular Science in the college of science and technology at Temple University in Philadelphia, US. He was previously the Hepburn Professor of Physical Science in the Center for Molecular Modeling at the University of Pennsylvania. Education and early life Klein, a British native, was naturalized in the United States in 1993. Klein obtained a B.Sc. from the University of Bristol in 1961, followed by a Ph.D. in 1964. His research career includes the fields of chemistry and physics. Klein was a CIBA-Geigy Research Fellow of Physics at the University of Genoa in Italy from 1964-1965. Then went on to complete his chemistry research as an ICI Research Fellow at the University of Bristol from 1965-1967. His education and career then moved to the United States in 1967 where he served as a Research Associate of Physics at Rutgers Uni ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
London
London is the capital and List of urban areas in the United Kingdom, largest city of England and the United Kingdom, with a population of just under 9 million. It stands on the River Thames in south-east England at the head of a estuary down to the North Sea, and has been a major settlement for two millennia. The City of London, its ancient core and financial centre, was founded by the Roman Empire, Romans as ''Londinium'' and retains its medieval boundaries.See also: Independent city#National capitals, Independent city § National capitals The City of Westminster, to the west of the City of London, has for centuries hosted the national Government of the United Kingdom, government and Parliament of the United Kingdom, parliament. Since the 19th century, the name "London" has also referred to the metropolis around this core, historically split between the Counties of England, counties of Middlesex, Essex, Surrey, Kent, and Hertfordshire, which largely comprises Greater London ... [...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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Trinity College, Cambridge
Trinity College is a constituent college of the University of Cambridge. Founded in 1546 by King Henry VIII, Trinity is one of the largest Cambridge colleges, with the largest financial endowment of any college at either Cambridge or Oxford. Trinity has some of the most distinctive architecture in Cambridge with its Great Court said to be the largest enclosed courtyard in Europe. Academically, Trinity performs exceptionally as measured by the Tompkins Table (the annual unofficial league table of Cambridge colleges), coming top from 2011 to 2017. Trinity was the top-performing college for the 2020-21 undergraduate exams, obtaining the highest percentage of good honours. Members of Trinity have been awarded 34 Nobel Prizes out of the 121 received by members of Cambridge University (the highest of any college at either Oxford or Cambridge). Members of the college have received four Fields Medals, one Turing Award and one Abel Prize. Trinity alumni include the father of the sci ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
JNCASR
The Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) is a multidisciplinary research institute located at Jakkur, Bangalore, India. It was established by the Department of Science and Technology of the Government of India, to mark the birth centenary of Pandit Jawaharlal Nehru, the first prime minister of independent India. It is considered one of the most prestigious research institutes in India. In 2019, JNCASR was ranked #7 among the world's top ten research institutes by ''Nature'' journal in a normalised ranking of small research institutes with high quality output. Academics Researchers at the centre are divided into seven units: Chemistry and Physics of Materials, Engineering Mechanics, Evolutionary and Organismal Biology, Molecular biology and Genetics, New Chemistry, Theoretical Sciences, Education Technology and Geodynamics. There are two off-campus units: Chemical Biology and Condensed Matter Theory. JNCASR has a faculty-to-student ratio of about ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Academia Europaea
The Academia Europaea is a pan-European Academy of Humanities, Letters, Law, and Sciences. The Academia was founded in 1988 as a functioning Europe-wide Academy that encompasses all fields of scholarly inquiry. It acts as co-ordinator of European interests in national research agencies. History The concept of a 'European Academy of Sciences' was raised at a meeting in Paris of the European Ministers of Science in 1985. The initiative was taken by the Royal Society (United Kingdom) which resulted in a meeting in London in June 1986 of Arnold Burgen (United Kingdom), Hubert Curien (France), Umberto Colombo (Italy), David Magnusson (Sweden), Eugen Seibold (Germany) and Ruurd van Lieshout (the Netherlands) – who agreed to the need for a new body. The two key purposes of Academia Europaea are: * express ideas and opinions of individual scientists from Europe * act as co-ordinator of European interests in national research agencies It does not aim to replace existing national ac ... [...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] |
Surfactant
Surfactants are chemical compounds that decrease the surface tension between two liquids, between a gas and a liquid, or interfacial tension between a liquid and a solid. Surfactants may act as detergents, wetting agents, emulsifiers, foaming agents, or dispersants. The word "surfactant" is a blend of ''surface-active agent'', coined . Agents that increase surface tension are "surface active" in the literal sense but are not called surfactants as their effect is opposite to the common meaning. A common example of surface tension increase is salting out: by adding an inorganic salt to an aqueous solution of a weakly polar substance, the substance will precipitate. The substance may itself be a surfactant – this is one of the reasons why many surfactants are ineffective in sea water. Composition and structure Surfactants are usually organic compounds that are amphiphilic, meaning each molecule contains both a hydrophilic "water-seeking" group (the ''head''), a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Macromolecule
A macromolecule is a very large molecule important to biophysical processes, such as a protein or nucleic acid. It is composed of thousands of covalently bonded atoms. Many macromolecules are polymers of smaller molecules called monomers. The most common macromolecules in biochemistry are biopolymers (nucleic acids, proteins, and carbohydrates) and large non-polymeric molecules such as lipids, nanogels and macrocycles. Synthetic fibers and experimental materials such as carbon nanotubes are also examples of macromolecules. Definition The term ''macromolecule'' (''macro-'' + ''molecule'') was coined by Nobel laureate Hermann Staudinger in the 1920s, although his first relevant publication on this field only mentions ''high molecular compounds'' (in excess of 1,000 atoms). At that time the term ''polymer'', as introduced by Berzelius in 1832, had a different meaning from that of today: it simply was another form of isomerism for example with benzene and acetylene and ha ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Aqueous Solution
An aqueous solution is a solution in which the solvent is water. It is mostly shown in chemical equations by appending (aq) to the relevant chemical formula. For example, a solution of table salt, or sodium chloride (NaCl), in water would be represented as . The word ''aqueous'' (which comes from ''aqua'') means pertaining to, related to, similar to, or dissolved in, water. As water is an excellent solvent and is also naturally abundant, it is a ubiquitous solvent in chemistry. Since water is frequently used as the solvent in experiments, the word solution refers to an aqueous solution, unless the solvent is specified. A ''non-aqueous solution'' is a solution in which the solvent is a liquid, but is not water. (See also Solvent and Inorganic nonaqueous solvent.) Characteristics Substances that are '' hydrophobic'' ('water-fearing') do not dissolve well in water, whereas those that are '' hydrophilic'' ('water-friendly') do. An example of a hydrophilic substance is sod ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative err ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Monte Carlo Method
Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. They are often used in physical and mathematical problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution. In physics-related problems, Monte Carlo methods are useful for simulating systems with many coupled degrees of freedom, such as fluids, disordered materials, strongly coupled solids, and cellular structures (see cellular Potts model, interacting particle systems, McKean–Vlasov processes, kinetic models of gases). Other examples include modeling phenomena with significant uncertainty in inputs such as the calculation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computer Simulation
Computer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics ( computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering. Simulation of a system is represented as the running of the system's model. It can be used to explore and gain new insights into new technology and to estimate the performance of systems too complex for analytical solutions. Computer simulations are realized by running computer programs that can be either small, running almost instantly on small devices, o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
