Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations

Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment

(2012) Richard L. Martin et al.   Journal of Chemical Information and Modeling

High-Throughput Characterization of Porous Materials Using Graphics Processing Units

(2012) Jihan Kim et al.   Journal of Chemical Theory and Computation

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Review and Analysis of Molecular Simulations of Methane, Hydrogen, and Acetylene Storage in Metal–Organic Frameworks

(2011) Rachel B. Getman et al.   CHEMICAL REVIEWS

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Metal–Organic Frameworks for Separations

(2011) Jian-Rong Li et al.   CHEMICAL REVIEWS

Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials

(2011) Richard Luis Martin et al.   Journal of Chemical Information and Modeling

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Pore size analysis of >250 000 hypothetical zeolites

(2011) Emmanuel Haldoupis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A database of new zeolite-like materials

(2011) Ramdas Pophale et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Diversity selection algorithms

(2011) Valerie J. Gillet   Wiley Interdisciplinary Reviews-Computational Molecular Science

Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance

(2011) Peter Willett   Wiley Interdisciplinary Reviews-Data Mining and Knowledge Discovery

Carbon Dioxide Capture: Prospects for New Materials

(2010) Deanna M. D'Alessandro et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Automatic Structure Analysis in High-Throughput Characterization of Porous Materials

(2010) Maciej Haranczyk et al.   Journal of Chemical Theory and Computation

Computational Discovery of New Zeolite-Like Materials

(2009) Michael W. Deem et al.   Journal of Physical Chemistry C

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

A New United Atom Force Field for Adsorption of Alkenes in Zeolites

(2008) Bei Liu et al.   Journal of Physical Chemistry C