Understanding Metal–Organic Framework Nucleation from a Solution with Evolving Graphs

Crystal morphing: Structural interpolation including crystal invariances

(2022) Junpei Oba et al.   Physical Review Materials

Selective capture of carbon dioxide from hydrocarbons using a metal-organic framework

(2021) Omid T. Qazvini et al.   Nature Communications

Three-step nucleation of metal–organic framework nanocrystals

(2021) Xiangwen Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Synthesis optimization of metal-organic frameworks MIL-125 and its adsorption separation on C8 aromatics measured by pulse test and simulation calculation

(2021) Xiaofei Qiao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Tuning Internal Strain in Metal-Organic Frameworks via Vapor Phase Infiltration for CO2 Reduction

(2020) Fan Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

SciPy 1.0: fundamental algorithms for scientific computing in Python

(2020) Pauli Virtanen et al.   NATURE METHODS

Ordered Large‐Pore MesoMOFs Based on Synergistic Effects of TriBlock Polymer and Hofmeister Ion

(2020) Ke Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MOF water harvesters

(2020) Nikita Hanikel et al.   Nature Nanotechnology

Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory

(2020) Hang Qu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Array programming with NumPy

(2020) Charles R. Harris et al.   NATURE

On the Role of Enthalpic and Entropic Contributions to the Conformational Free Energy Landscape of MIL‐101(Cr) Secondary Building Units

(2020) Loukas Kollias et al.   Advanced Theory and Simulations

Capturing chemical intuition in synthesis of metal-organic frameworks

(2019) Seyed Mohamad Moosavi et al.   Nature Communications

Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal–Organic Framework Nucleation

(2019) Loukas Kollias et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal Substitution as the Method of Modifying Electronic Structure of Metal-Organic Frameworks

(2019) Maria A. Syzgantseva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Free energy of metal-organic framework self-assembly

(2019) Yamil J. Colón et al.   JOURNAL OF CHEMICAL PHYSICS

Formation of Metal–Organic Frameworks on a Metal Ion-Doped Polymer Substrate: In-Depth Time-Course Analysis Using Scanning Electron Microscopy

(2019) Takaaki Tsuruoka et al.   LANGMUIR

Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials

(2019) Tian Xie et al.   Nature Communications

Assembling Metal–Organic Frameworks into the Fractal Scale for Sweat Sensing

(2019) Zhengyun Wang et al.   ACS Applied Materials & Interfaces

Precise Control of Molecular Self‐Diffusion in Isoreticular and Multivariate Metal‐Organic Frameworks

(2019) Thomas M. Osborn Popp et al.   CHEMPHYSCHEM

Thermodynamic and Kinetic Effects in the Crystallization of Metal–Organic Frameworks

(2018) Anthony K. Cheetham et al.   ACCOUNTS OF CHEMICAL RESEARCH

Stable Metal-Organic Frameworks: Design, Synthesis, and Applications

(2018) Shuai Yuan et al.   ADVANCED MATERIALS

Defective Metal-Organic Frameworks

(2018) Stefano Dissegna et al.   ADVANCED MATERIALS

In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth

(2018) Mary J. Van Vleet et al.   CHEMICAL REVIEWS

Elucidation of the Formation Mechanism of Metal–Organic Frameworks via in-Situ Raman and FTIR Spectroscopy under Solvothermal Conditions

(2018) Heidemarie Embrechts et al.   Journal of Physical Chemistry C

Microscopic Origins of Poor Crystallinity in the Synthesis of Covalent Organic Framework COF-5

(2018) Vu Nguyen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular dynamics simulations of liquid silica crystallization

(2018) Haiyang Niu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An experimental and computational study of CO2 adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal–organic frameworks featuring open metal sites

(2018) Mehrdad Asgari et al.   Chemical Science

From fundamentals to applications: a toolbox for robust and multifunctional MOF materials

(2018) Angelo Kirchon et al.   CHEMICAL SOCIETY REVIEWS

Nuclear Magnetic Resonance Spectroscopy for In Situ Monitoring of Porous Materials Formation under Hydrothermal Conditions

(2018) Mohamed Haouas   Materials

The Chemistry of Nucleation: In Situ Pair Distribution Function Analysis of Secondary Building Units During UiO-66 MOF Formation

(2018) Hui Xu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Techno-economic Analysis of Metal–Organic Frameworks for Hydrogen and Natural Gas Storage

(2017) Daniel DeSantis et al.   ENERGY & FUELS

Analyzing and Driving Cluster Formation in Atomistic Simulations

(2017) Gareth A. Tribello et al.   Journal of Chemical Theory and Computation

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships

(2017) Jon Paul Janet et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing Molecular Mechanisms of Self-Assembly in Metal–Organic Frameworks

(2016) Debasmita Biswal et al.   ACS Nano

Best Practices for the Synthesis, Activation, and Characterization of Metal–Organic Frameworks

(2016) Ashlee J. Howarth et al.   CHEMISTRY OF MATERIALS

A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory

(2016) Peter G. Boyd et al.   CRYSTENGCOMM

Machine Learning Approach for Prediction and Search: Application to Methane Storage in a Metal–Organic Framework

(2016) Hiroshi Ohno et al.   Journal of Physical Chemistry C

Tuning the Adsorption-Induced Phase Change in the Flexible Metal–Organic Framework Co(bdp)

(2016) Mercedes K. Taylor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conductive MOF electrodes for stable supercapacitors with high areal capacitance

(2016) Dennis Sheberla et al.   NATURE MATERIALS

Principal component analysis: a review and recent developments

(2016) Ian T. Jolliffe et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

HF-free synthesis of MIL-101(Cr) and its hydrogen adsorption studies

(2015) Phani B. S. Rallapalli et al.   Environmental Progress & Sustainable Energy

Nucleation rate analysis of methane hydrate from molecular dynamics simulations

(2015) Daisuke Yuhara et al.   FARADAY DISCUSSIONS

Influence of Anion Composition on Gas Sorption Features of Cr-MIL-101 Metal–Organic Framework

(2015) Elena A. Berdonosova et al.   Journal of Physical Chemistry C

Nucleation and Early Stages of Layer-by-Layer Growth of Metal Organic Frameworks on Surfaces

(2015) Alex Summerfield et al.   Journal of Physical Chemistry C

Machine learning tools formineral recognition and classification from Raman spectroscopy

(2015) C. Carey et al.   JOURNAL OF RAMAN SPECTROSCOPY

Simulation of metal–organic framework self-assembly

(2015) Makoto Yoneya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework

(2015) Matthew J. Cliffe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nucleation rate analysis of methane hydrate from molecular dynamics simulations

(2015) Daisuke Yuhara et al.   FARADAY DISCUSSIONS

Formation Mechanism of the Secondary Building Unit in a Chromium Terephthalate Metal–Organic Framework

(2014) David C. Cantu et al.   CHEMISTRY OF MATERIALS

Ex Situ NMR Relaxometry of Metal-Organic Frameworks for Rapid Surface-Area Screening

(2013) Joseph J. Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanoporous Solids: How Do They Form? An In Situ Approach

(2013) Gérard Férey et al.   CHEMISTRY OF MATERIALS

Porous titanium and zirconium oxo carboxylates at the interface between sol–gel and metal–organic framework structures

(2013) Christian Maurer et al.   DALTON TRANSACTIONS

Probing Adsorption Interactions in Metal–Organic Frameworks using X-ray Spectroscopy

(2013) Walter S. Drisdell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

GROMACS molecule & liquid database

(2012) D. van der Spoel et al.   BIOINFORMATICS

Small-angle X-ray scattering documents the growth of metal-organic frameworks

(2012) Maarten G. Goesten et al.   CATALYSIS TODAY

In Situ NMR, Ex Situ XRD and SEM Study of the Hydrothermal Crystallization of Nanoporous Aluminum Trimesates MIL-96, MIL-100, and MIL-110

(2012) Mohamed Haouas et al.   CHEMISTRY OF MATERIALS

Chromium(III) Terephthalate Metal Organic Framework (MIL-101): HF-Free Synthesis, Structure, Polyoxometalate Composites, and Catalytic Properties

(2012) Lev Bromberg et al.   CHEMISTRY OF MATERIALS

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Structure-dependent light-responsiveness of chemically linked nanoparticle clusters

(2012) Sungsook Ahn et al.   RSC Advances

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

Flexible Porous Metal-Organic Frameworks for a Controlled Drug Delivery

(2008) Patricia Horcajada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What is principal component analysis?

(2008) Markus Ringnér   NATURE BIOTECHNOLOGY