Results 181 to 190 of about 9,268 (216)
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Application of Phast in the Quantitative Consequence Analysis for the Boiler BLEVE
2013 Third International Conference on Intelligent System Design and Engineering Applications, 2013Boilers BLEVE are among the most devastating accidents likely in chemical process industry, which lead to shock waves and rocketing fragments of ruptured vessels. The prediction of the boiler explosion energy and its impact is fairly helpful to the prevention and protection of accidents.
Qu Fang, Zuo Zhe, Si Qingmin
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A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation
Journal of Chemical Theory and Computation, 2013Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parametrized from nearly exact ...
Mullen, Ashley L. +5 more
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Pharmacophore Alignment Search Tool (PhAST): Significance Assessment of Chemical Similarity
Molecular Informatics, 2013AbstractPreviously, we proposed a ligand‐based virtual screening technique (PhAST) based on global alignment of linearized interaction patterns. Here, we applied techniques developed for similarity assessment in local sequence alignments to our method resulting inp‐values for chemical similarity.
Hähnke V +3 more
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Phast4Windows: A 3D Graphical User Interface for the Reactive‐Transport Simulator PHAST
Groundwater, 2012Phast4Windows is a Windows® program for developing and running groundwater‐flow and reactive‐transport models with the PHAST simulator. This graphical user interface allows definition of grid‐independent spatial distributions of model properties—the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations ...
Scott R, Charlton, David L, Parkhurst
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[Computer-assisted video processing of Phast gels with ELBA].
Klinische Wochenschrift, 1989Referring to one-dimensional micro electrophoresis-gels, produced at the division of nephrology (Klinikum Göttingen) by using the Phast-System (Pharmacia, Freiburg), the ELBA-program for image evaluation of electrophoretic gels (interactive systems, Heidelberg) was investigated.
J, Hensel +4 more
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The PHAST 2.0 Force Field for General Small Molecule and Materials Simulations
Journal of Chemical Theory and ComputationClassical, empirical molecular simulation has become increasingly important in chemistry due to its ability to accurately model and resolve experimental phenomena on the atomic scale. Still, many challenges remain including obtaining subkilojoules per mole accuracy while maintaining speed, computational efficiency, and transferability to novel and ...
Adam Hogan, Logan Ritter, Brian Space
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PhaST: Hierarchical Concurrent Log-Free Skip List for Persistent Memory
IEEE Transactions on Parallel and Distributed Systems, 2022Zhenxin Li +3 more
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