Gourt > Science > Chemistry > Computational (10)
A computer is a machine for manipulating data according to a list of instructions known as a program.
Computers are extremely versatile. In fact, they are universal information-processing machines. According to the Church–Turing thesis, a computer with a certain minimum threshold capability is in principle capable of performing the tasks of any other computer, from those of a personal digital assistant to a supercomputer, as long as time and memory capacity are not considerations. Therefore, the same computer designs may be adapted for tasks ranging from processing company payrolls to controlling unmanned spaceflights. Due to technological advancement, modern electronic computers are exponentially more capable than those of preceding generations (a phenomenon partially described by Moore's Law).
Computers take numerous physical forms. Early electronic computers were the size of a large room, and such enormous computing facilities still exist for specialized scientific computation — supercomputers — and for the transaction processing requirements of large companies, generally called mainframes. Smaller computers for individual use, called personal computers, and their portable equivalent, the laptop computer, are ubiquitous information-processing and communication tools and are perhaps what most non-experts think of as "a computer". However, the most common form of computer in use today is the embedded computer, small computers used to control another device. Embedded computers control machines from fighter aircraft to digital cameras.
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Nvidia Tegra 2: Double the Computational and Graphics Power http://short.to/w4bz
ryan_morland (Ryan Morland) Fri, 06 Nov 2009 12:32:36 -0000
Nvidia Tegra 2: Double the Computational and Graphics Power http://short.to/w4bz
[å享]Computational Physics Group #è±å½ä¸å¤®å °å¼å¤å¤§å¦è®¡ç®è½¯ç©è´¨ç©ç [IPv6'ed by http://zuosa.net/psi2.u] http://zuosa.net/psi9.u
ljqu (lijian) Fri, 06 Nov 2009 12:00:40 -0000
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Computational Genomic Signatures - by Khalid Sayood - Morgan & Claypool Publishers. http://tinyurl.com/yh47akp
science_book (New Science Books) Fri, 06 Nov 2009 10:51:36 -0000
Computational Genomic Signatures - by Khalid Sayood - Morgan & Claypool Publishers. http://tinyurl.com/yh47akp
Just been talking to Mr Babbage about his so-called Computational Engine, the man is a fool! It will never catch on! #HowVictorianIsThat
andrewish (Andrew Isherwood) Fri, 06 Nov 2009 09:22:34 -0000
Just been talking to Mr Babbage about his so-called Computational Engine, the man is a fool! It will never catch on! #HowVictorianIsThat
Researching for computational algorithms.
shellaurfano (shella urfano) Fri, 06 Nov 2009 08:30:10 -0000
Researching for computational algorithms.
Postdoc: Post-doctoral position in Computational Genetics in http://tinyurl.com/ylyl6ao
evoldir (EvolDir) Fri, 06 Nov 2009 07:31:03 -0000
Postdoc: Post-doctoral position in Computational Genetics in http://tinyurl.com/ylyl6ao
Australian Computational Chemistry Via the Internet Project - A set of web-based teaching modules.
Meta Description: [ ACCVIP Computational Chemistry via the
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Cambridge University Silicon Graphics Teaching Laboratory - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
CMM - Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
Computational Chemistry and Organic Synthesis - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
Computational Chemistry Comparison and Benchmark Database - NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
Meta Description: [ Ideal-gas thermochemistry. Comparisons between theory and experiment. ]
Computational Chemistry List - A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
Computational Chemistry Resources - Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
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Computational Chemistry Roadmap - Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
Doubly Nudged Elastic Band Method - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
Meta Description: [ Doubly nudged elastic band method test cases ]
EPSRC National Service for Computational Chemistry Software - Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
Meta Description: [ EPSRC National Service for Computational Chemistry was
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training to support UK academics working in the fields of chemistry and materials science. ]
First Principles Research, Inc. - Research Theorists in Physics and Chemistry.
Meta Description: [ Research Theorists in Physics and Chemistry. ]
Intertek ASG Computational Chemistry Group - Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
Meta Description: [ Intertek ASG Computational Chemistry Group: extensive expertise and experience in traditional computational chemistry and dealing with complex data. Services provided by the group include calculation of molecular properties using computational chemistry, the management, analysis, visualisation an... ]
MathMol - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
MatHub - Features current and background information about molecular modeling and informatics for chemistry and materials science.
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Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
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Molecular Modeling - Links to information on chemical structures, graphics, slide shows, and modeling experiments.
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Molecular Modeling for Organic Chemistry - Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
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