Accelerating analysis of void space in porous materials on multicore and GPU platforms
出版年份 2012 全文链接
标题
Accelerating analysis of void space in porous materials on multicore and GPU platforms
作者
关键词
-
出版物
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
Volume 26, Issue 4, Pages 347-357
出版商
SAGE Publications
发表日期
2012-02-07
DOI
10.1177/1094342011431591
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
- (2011) Thomas F. Willems et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Boosting theoretical zeolitic framework generation for the determination of new materials structures using GPU programming
- (2011) Laurent A. Baumes et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Computational characterization of zeolite porous networks: an automated approach
- (2011) Eric L. First et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Synthesis and Structure Determination of the Hierarchical Meso-Microporous Zeolite ITQ-43
- (2011) J. Jiang et al. SCIENCE
- Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials
- (2010) Kevin Theisen et al. Journal of Chemical Information and Modeling
- Automatic Structure Analysis in High-Throughput Characterization of Porous Materials
- (2010) Maciej Haranczyk et al. Journal of Chemical Theory and Computation
- GPU-accelerated molecular modeling coming of age
- (2010) John E. Stone et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations
- (2010) Emmanuel Haldoupis et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
- (2009) Ivan S. Ufimtsev et al. Journal of Chemical Theory and Computation
- Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
- (2009) Ivan S. Ufimtsev et al. Journal of Chemical Theory and Computation
- McVol - A program for calculating protein volumes and identifying cavities by a Monte Carlo algorithm
- (2009) Mirco S. Till et al. JOURNAL OF MOLECULAR MODELING
- Computational Discovery of New Zeolite-Like Materials
- (2009) Michael W. Deem et al. Journal of Physical Chemistry C
- Synthesis and Hydrogen Storage Properties of Be12(OH)12(1,3,5-benzenetribenzoate)4
- (2009) Kenji Sumida et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Comment on Comparative Molecular Simulation Study of CO2/N2and CH4/N2Separation in Zeolites and Metal−Organic Frameworks
- (2009) Rajamani Krishna et al. LANGMUIR
- Navigating molecular worms inside chemical labyrinths
- (2009) M. Haranczyk et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity
- (2008) Berend Smit et al. CHEMICAL REVIEWS
- Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
- (2008) Ivan S. Ufimtsev et al. Journal of Chemical Theory and Computation
- Broadly Hysteretic H2Adsorption in the Microporous Metal−Organic Framework Co(1,4-benzenedipyrazolate)
- (2008) Hye Jin Choi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Towards a molecular understanding of shape selectivity
- (2008) Berend Smit et al. NATURE
- High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO2Capture
- (2008) Rahul Banerjee et al. SCIENCE
- Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks
- (2007) Krista S. Walton et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now