Chemistry Meets Computer, Data and Networking Technologies
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| | The National Science Foundation (NSF) has announced the first round of grants in "cyber-enabled chemistry," a program developed by its chemistry division to explore how researchers and educators in that field can fully exploit the potential of cyberinfrastructure… ...continue
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Clusters of Aluminum Atoms Reveal a New Form of Chemistry
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| | A research team has discovered clusters of aluminum atoms that have chemical properties similar to single atoms of metallic and nonmetallic elements when they react with iodine … ...continue
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Practicing Extreme Chemistry in Interstellar Space
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| | A new research center combining the tools of chemistry and astronomy will use the unique laboratory of interstellar space to free the study of basic chemistry from the restrictive bonds of Earth ...continue
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Computational Chemistry Cluster will Dramatically Increase UD Computing Power
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| | A research team has been awarded an NSF grant to acquire a high-performance computing cluster with a novel architecture that combines traditional CPUs with GPU for use in the rapidly expanding field of computational chemistry ...continue
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57th Pittsburgh Conference on Analytical Chemistry and Applied Spectroscopy
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| | Major focus areas of PITTCON’06 will include bioanalytical chemistry (proteomics, genomics, and metabolomics), pharmaceutical chemistry, nanotechnology, environmental chemistry, forensic analysis, food analysis, applied molecular spectroscopy, mass spectrometry, and chemical separations. ...continue
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Creating Designer Molecules with Computational Chemistry
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| | A new company established by Northumbria University will give manufacturers the chance to use computational chemistry to create “designer molecules” for the first time in an industrial setting. The process, Quantum Directed Genetic Algorithms, is a unique and innovative solution for identifying new catalysts and reactants ...continue
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Quantum Computer Calculates Exact Energy of Molecular Hydrogen
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| | In an important first for a promising new technology, scientists have used a quantum computer to calculate the precise energy of molecular hydrogen. This groundbreaking approach to molecular simulations could have profound implications not just for quantum chemistry, but also for a range of fields from cryptography to materials science ...continue
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Editorial Contributors
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| | Scientific Computing's editorial contributors ...continue
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Accelrys, Wiley Develop Structure-searchable Chemical Reaction Databases
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| | Accelrys, a wholly owned subsidiary of Pharmacopeia, Inc., and John Wiley and Sons, Inc., announced a collaboration to create a new series of electronic references. The collaboration will combine chemistry data sources with tools for advanced chemical information management and presentation. ...continue
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Mortimer's Mathematics for Physical Chemistry
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| | A useful text for a wide range of disciplines
John A. Wass, Ph.D.
According to the cover blurb, Mathematics for Physical Chemistry is a text for chemistry undergraduates with emphasis on preparation for physical chemistry courses. As such, it contains the usual exposition, examples and problems, but also may be useful as a review to those in a variety of other fields. The author wisely begins simply; reviewing numbers, symbols and algebraic equations before proceeding to calculus, differential equations, series, matrices and (gasp) ...continue
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First Controlled Chemical Reactions of Ultracold Molecules Demonstrated
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| | Physicists have for the first time observed chemical reactions near absolute zero, demonstrating that chemistry is possible at ultralow temperatures and that reaction rates can be controlled using quantum mechanics, the peculiar rules of submicroscopic physics ...continue
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New Hydrogen Storage Method Discovered
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| | Scientists at the Carnegie Institution have found for the first time that high pressure can be used to make a unique hydrogen-storage material. The discovery paves the way for an entirely new way to approach the hydrogen-storage problem ...continue
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Solving Computational Chemistry Challenges
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| | An interactive, educational, streaming audio Webcast
Sponsored by Hewlett-Packard
 As technology provides computational chemists with exponential improvements in computational capability, they are finding ways to employ the new power to investigate formerly unaddressable research problems. Join our panel of experts as they discuss new resources and technologies, best practices and successful applications ...continue
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Solving Comp Chem Challenges
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| | An interactive, streaming audio Webcast
Sponsored by Hewlett-Packard
As technology provides chemists with exponential improvements in computational capability, they are employing the new power to investigate formerly unaddressable research problems. ...continue
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Computer Simulation to Identify the Best Molecules
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| | Duke University theoretical chemists are investigating a new computer method that could help scientists identify the best molecules for drugs, electronic devices or an array of other uses. Their method would address the "daunting" fact that "there aren't enough atoms… ...continue
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Bayer HealthCare Selects Tripos to Provide Drug Discovery Software For Its Global Enterprise
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| | Tripos, Inc. and Bayer HealthCare AG have agreed to deploy Tripos' proprietary discovery informatics software, SYBYL and UNITY, globally across Bayer's drug discovery and development organization. Under the terms of the agreement ...continue
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Tripos and Chronogen Announce Drug Discovery Partnership
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| | Tripos, Inc. and Chronogen Inc. announced a three-year collaboration to discover and optimize small-molecule therapeutics for cardiovascular disorders. Under the agreement, Tripos will employ its knowledge-driven chemistry process to provide complete drug discovery chemistry services for Chronogen. ...continue
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3-D DNA Crystals Connect Biotechnology to Nanotechnology
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| | Chemists have created 3-D DNA structures, a breakthrough bridging the molecular world to the world in which we live. The work has a range of potential industrial and pharmaceutical applications, such as creation of nanoelectronic components and organization of drug receptor targets to enable illumination of their 3-D structures. ...continue
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Scientific Computing’s HPC Special Edition
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| | Suzanne Tracy, Editor in Chief
Scientific Computing’s HPC Special Edition presents solutions that help to optimize workflows and expedite operations
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Using a Light Touch
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| | Analyzing Delicate Macromolecules with MALDI
Bill Weaver, Ph.D.
"Please call me Mister. I'm not a Doctor, I'm an engineer," requested a very modest Koichi Tanaka at a recent reception held in his honor at the Maryland Science Center in Inner Harbor, Baltimore. ...continue
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