iRASPA: GPU-accelerated visualization software for materials scientists
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
iRASPA: GPU-accelerated visualization software for materials scientists
Authors
Keywords
-
Journal
MOLECULAR SIMULATION
Volume 44, Issue 8, Pages 653-676
Publisher
Informa UK Limited
Online
2018-01-26
DOI
10.1080/08927022.2018.1426855
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Molecular Surface Maps
- (2017) Michael Krone et al. IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
- Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo
- (2017) Ahmadreza Rahbari et al. MOLECULAR SIMULATION
- A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks
- (2016) Dalar Nazarian et al. CHEMISTRY OF MATERIALS
- Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory
- (2016) Jurn Heinen et al. CHEMISTRY-A EUROPEAN JOURNAL
- Visualization of Biomolecular Structures: State of the Art Revisited
- (2016) B. Kozlíková et al. COMPUTER GRAPHICS FORUM
- Assessing the Surface Area of Porous Solids: Limitations, Probe Molecules, and Methods
- (2016) Martijn F. de Lange et al. LANGMUIR
- Exploiting Large-Pore Metal-Organic Frameworks for Separations through Entropic Molecular Mechanisms
- (2015) Ariana Torres-Knoop et al. CHEMPHYSCHEM
- Aqueous Solutions of Ionic Liquids: Microscopic Assembly
- (2015) Jose Manuel Vicent-Luna et al. CHEMPHYSCHEM
- MegaMol—A Prototyping Framework for Particle-Based Visualization
- (2015) Sebastian Grottel et al. IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
- Entropic Separation of Styrene/Ethylbenzene Mixtures by Exploitation of Subtle Differences in Molecular Configurations in Ordered Crystalline Nanoporous Adsorbents
- (2015) Ariana Torres-Knoop et al. LANGMUIR
- RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
- (2015) David Dubbeldam et al. MOLECULAR SIMULATION
- Separating Xylene Isomers by Commensurate Stacking ofp-Xylene within Channels of MAF-X8
- (2014) Ariana Torres-Knoop et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- High-throughput computational screening of metal–organic frameworks
- (2014) Yamil J. Colón et al. CHEMICAL SOCIETY REVIEWS
- Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
- (2014) Yongchul G. Chung et al. CHEMISTRY OF MATERIALS
- Entropic Separations of Mixtures of Aromatics by Selective Face-to-Face Molecular Stacking in One-Dimensional Channels of Metal-Organic Frameworks and Zeolites
- (2014) Ariana Torres-Knoop et al. CHEMPHYSCHEM
- Zeolite screening for the separation of gas mixtures containing SO2, CO2and CO
- (2014) I. Matito-Martos et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- TraPPE-zeo: Transferable Potentials for Phase Equilibria Force Field for All-Silica Zeolites
- (2013) Peng Bai et al. Journal of Physical Chemistry C
- Monte Carlo methods in Materials Studio
- (2013) Reinier L.C. Akkermans et al. MOLECULAR SIMULATION
- Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers
- (2012) David Dubbeldam et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Finding MOFs for Highly Selective CO2/N2 Adsorption Using Materials Screening Based on Efficient Assignment of Atomic Point Charges
- (2012) Emmanuel Haldoupis et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
- (2012) Marcus D Hanwell et al. Journal of Cheminformatics
- Large-scale computational screening of metal-organic frameworks for CH4/H2 separation
- (2011) Dong Wu et al. AICHE JOURNAL
- Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture
- (2011) Youn-Sang Bae et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Large-scale screening of hypothetical metal–organic frameworks
- (2011) Christopher E. Wilmer et al. Nature Chemistry
- GPU-accelerated molecular modeling coming of age
- (2010) John E. Stone et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Molecular and Meso- and Macroscopic Properties of Hierarchical Nanocrystalline ZSM-5 Zeolite Prepared by Seed Silanization
- (2009) D. P. Serrano et al. CHEMISTRY OF MATERIALS
- Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach
- (2009) A. Özgür Yazaydın et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- High-speed Marching Cubes using HistoPyramids
- (2008) Christopher Dyken et al. COMPUTER GRAPHICS FORUM
- TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY
- (2008) TIMOTHY C. GERMANN et al. INTERNATIONAL JOURNAL OF MODERN PHYSICS C
- 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
Become a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get StartedAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started