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John C. Tully
John C. Tully is a theoretical chemist, a researcher and Sterling Professor emeritus of Chemistry at Yale University. He is known for his development of surface hopping, a method for including excited states in molecular dynamics calculations. Much of his career was spent at Bell Labs, from 1970 to 1996, exploring theoretical chemistry and surface science. In 1996, he became a faculty member at Yale University, where he pursued research in physical chemistry and physics. He is a member of the National Academy of Sciences The National Academy of Sciences (NAS) is a United States nonprofit, non-governmental organization. NAS is part of the National Academies of Sciences, Engineering, and Medicine, along with the National Academy of Engineering (NAE) and the Nati ... and the International Academy of Quantum Molecular Science. In 2020 he was awarded the NAS Award in Chemical Sciences. References External links * https://web.archive.org/web/20120628094730/http://www.chem.yale ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Theoretical Chemist
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation. Overview Theoretical chemistry unites principles and concepts common to all branches of chemistry. Within the framework of theoretical chemistry, there is a systematization of chemical laws, principles and rules, their refinement and detailing, the construction of a hierarchy. The central place in theoretical chemistry is occupied by the doctrine of the interconnection of the structure and properties of molecular systems. It uses mathematical and physical methods to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. In the most general sense, it is explanation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Sterling Professor
Sterling Professor, the highest academic rank at Yale University, is awarded to a tenured faculty member considered the best in his or her field. It is akin to the rank of university professor at other universities. The appointment, made by the President of Yale University and confirmed by the Yale Corporation, can be granted to any Yale faculty member, and up to forty professors can hold the title at the same time. The position was established through a 1918 bequest from John William Sterling, and the first Sterling Professor was appointed in 1920. History The professorships are named for and funded by a $15-million bequest left by John W. Sterling John William Sterling (May 12, 1844 – July 5, 1918) was a founding partner of Shearman & Sterling LLP and major benefactor to Yale University. Early life and career John William Sterling was born in Stratford, Connecticut, the son of Cat ..., partner in the New York law firm Shearman & Sterling and an 1864 graduate o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Yale University
Yale University is a Private university, private research university in New Haven, Connecticut. Established in 1701 as the Collegiate School, it is the List of Colonial Colleges, third-oldest institution of higher education in the United States and among the most prestigious in the world. It is a member of the Ivy League. Chartered by the Connecticut Colony, the Collegiate School was established in 1701 by clergy to educate Congregationalism in the United States, Congregational ministers before moving to New Haven in 1716. Originally restricted to theology and sacred languages, the curriculum began to incorporate humanities and sciences by the time of the American Revolution. In the 19th century, the college expanded into graduate and professional instruction, awarding the first Doctor of Philosophy, PhD in the United States in 1861 and organizing as a university in 1887. Yale's faculty and student populations grew after 1890 with rapid expansion of the physical campus and sc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Surface Hopping
Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations. Traditional molecular dynamics assume the Born-Oppenheimer approximation, where the lighter electrons adjust instantaneously to the motion of the nuclei. Though the Born-Oppenheimer approximation is applicable to a wide range of problems, there are several applications, such as photoexcited dynamics, electron transfer, and surface chemistry where this approximation falls apart. Surface hopping partially incorporates the non-adiabatic effects by including excited adiabatic surfaces in the calculations, and allowing for 'hops' between these surfaces, subject to certain criteria. Motivation Molecular dynamics simulations numerically solve the classical equations of motion. These simulations, though, assume that the forces on the electrons are derived solely by the ground adiabatic surface. Solving the time-dependent Schrödinger equation nu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Excited State
In quantum mechanics, an excited state of a system (such as an atom, molecule or nucleus) is any quantum state of the system that has a higher energy than the ground state (that is, more energy than the absolute minimum). Excitation refers to an increase in energy level above a chosen starting point, usually the ground state, but sometimes an already excited state. The temperature of a group of particles is indicative of the level of excitation (with the notable exception of systems that exhibit negative temperature). The lifetime of a system in an excited state is usually short: spontaneous or induced emission of a quantum of energy (such as a photon or a phonon) usually occurs shortly after the system is promoted to the excited state, returning the system to a state with lower energy (a less excited state or the ground state). This return to a lower energy level is often loosely described as decay and is the inverse of excitation. Long-lived excited states are often cal ... [...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] |
Bell Labs
Nokia Bell Labs, originally named Bell Telephone Laboratories (1925–1984), then AT&T Bell Laboratories (1984–1996) and Bell Labs Innovations (1996–2007), is an American industrial research and scientific development company owned by multinational company Nokia. With headquarters located in Murray Hill, New Jersey, the company operates several laboratories in the United States and around the world. Researchers working at Bell Laboratories are credited with the development of radio astronomy, the transistor, the laser, the photovoltaic cell, the charge-coupled device (CCD), information theory, the Unix operating system, and the programming languages B, C, C++, S, SNOBOL, AWK, AMPL, and others. Nine Nobel Prizes have been awarded for work completed at Bell Laboratories. Bell Labs had its origin in the complex corporate organization of the Bell System telephone conglomerate. In the late 19th century, the laboratory began as the Western Electric Engineering ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
National Academy Of Sciences
The National Academy of Sciences (NAS) is a United States nonprofit, non-governmental organization. NAS is part of the National Academies of Sciences, Engineering, and Medicine, along with the National Academy of Engineering (NAE) and the National Academy of Medicine (NAM). As a national academy, new members of the organization are elected annually by current members, based on their distinguished and continuing achievements in original research. Election to the National Academy is one of the highest honors in the scientific field. Members of the National Academy of Sciences serve '' pro bono'' as "advisers to the nation" on science, engineering, and medicine. The group holds a congressional charter under Title 36 of the United States Code. Founded in 1863 as a result of an Act of Congress that was approved by Abraham Lincoln, the NAS is charged with "providing independent, objective advice to the nation on matters related to science and technology. ... to provide sci ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
International Academy Of Quantum Molecular Science
The International Academy of Quantum Molecular Science (IAQMS) is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John Pople and Bernard Pullman. Its foundation was supported by Louis de Broglie. Originally the Academy had 25 regular members under 65 years of age. This was later raised to 30, and then to 35. There is no limit on the number of members over 65 years of age. The members are "chosen among the scientists of all countries who have distinguished themselves by the value of their scientific work, their role of pioneer or leader of a school in the broad field of quantum chemistry, i.e. the application of quantum mechanics to the study of molecules and macromolecules". The Academy presently consists of 90 members (as of 2006). The Academy organizes the International Congress of Quantum ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
NAS Award In Chemical Sciences
The National Academy of Sciences Award in Chemical Sciences is awarded for innovative research in the chemical sciences that in the broadest sense contributes to a better understanding of the natural sciences and to the benefit of humanity. Recipients SourceNational Academy of Sciences * John C. Tully (2020) For his pioneering contributions to our understanding of the rates and pathways of chemical processes in gas phase, condensed phase, and surfaces through insightful analyses and creation of computational tools such as surface hopping, which is the standard starting point for simulating molecular motion evolving on multiple potential energy surfaces. * Jacqueline Barton (2019) For her pioneering contributions to our understanding of the chemical, biological and spectroscopic properties of the DNA double helix. * Jennifer Doudna (2018) For co-inventing the technology for efficient site-specific genome engineering using CRISPR/Cas9 nucleases. * Armand Paul Alivisatos (2017) ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Living People
Related categories * :Year of birth missing (living people) / :Year of birth unknown * :Date of birth missing (living people) / :Date of birth unknown * :Place of birth missing (living people) / :Place of birth unknown * :Year of death missing / :Year of death unknown * :Date of death missing / :Date of death unknown * :Place of death missing / :Place of death unknown * :Missing middle or first names See also * :Dead people * :Template:L, which generates this category or death years, and birth year and sort keys. : {{DEFAULTSORT:Living people 21st-century people People by status ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Year Of Birth Missing (living People)
A year or annus is the orbital period of a planetary body, for example, the Earth, moving in its orbit around the Sun. Due to the Earth's axial tilt, the course of a year sees the passing of the seasons, marked by change in weather, the hours of daylight, and, consequently, vegetation and soil fertility. In temperate and subpolar regions around the planet, four seasons are generally recognized: spring, summer, autumn and winter. In tropical and subtropical regions, several geographical sectors do not present defined seasons; but in the seasonal tropics, the annual wet and dry seasons are recognized and tracked. A calendar year is an approximation of the number of days of the Earth's orbital period, as counted in a given calendar. The Gregorian calendar, or modern calendar, presents its calendar year to be either a common year of 365 days or a leap year of 366 days, as do the Julian calendars. For the Gregorian calendar, the average length of the calendar yea ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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