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Heat Flux for Many-Body Interactions: Corrections to LAMMPS

Journal of chemical theory and computation, 2019-10, Vol.15 (10), p.5579-5587

2019

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

Chemical reviews, 2012-02, Vol.112 (2), p.703-723

2012

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Large-scale screening of hypothetical metal-organic frameworks

Nature chemistry, 2011-11, Vol.4 (2), p.83

2011

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Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates

Nature communications, 2020-08, Vol.11 (1), p.4010-4010, Article 4010

2020

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Structure–property relationships of porous materials for carbon dioxide separation and capture

Energy & environmental science, 2012-12, Vol.5 (12), p.9849-9856

2012

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Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal–Organic Frameworks

Journal of the American Chemical Society, 2013-01, Vol.135 (2), p.862-869

2013

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Genetic Algorithm Design of MOF-based Gas Sensor Arrays for CO2-in-Air Sensing

Sensors (Basel, Switzerland), 2020-02, Vol.20 (3), p.924

2020

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High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room Temperature

Journal of physical chemistry. C, 2014-03, Vol.118 (10), p.5383-5389

2014

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Size Discrimination of Carbohydrates via Conductive Carbon Nanotube@Metal Organic Framework Composites

Journal of the American Chemical Society, 2021-06, Vol.143 (21), p.8022-8033

2021

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High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

npj computational materials, 2023-01, Vol.9 (1), p.11-12, Article 11

2023

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Influence of Missing Linker Defects on the Thermal Conductivity of Metal–Organic Framework HKUST‑1

ACS applied materials & interfaces, 2020-12, Vol.12 (50), p.56172-56177

2020

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Mechanisms of Heat Transfer in Porous Crystals Containing Adsorbed Gases: Applications to Metal-Organic Frameworks

Physical review letters, 2016-01, Vol.116 (2), p.025902-025902, Article 025902

2016

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High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes

Energy & environmental science, 2019-04, Vol.12 (4), p.1255-1264

2019

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An Extended Charge Equilibration Method

The journal of physical chemistry letters, 2012-09, Vol.3 (17), p.2506-2511

2012

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Toward comprehensive exploration of the physisorption space in porous pseudomaterials using an iterative mutation search algorithm

The Journal of chemical physics, 2021-12, Vol.155 (23), p.234114-234114

2021

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Nanoscale Forces and Their Uses in Self-Assembly

Small (Weinheim an der Bergstrasse, Germany), 2009-07, Vol.5 (14), p.1600-1630

2009

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Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

Journal of physical chemistry. C, 2013-04, Vol.117 (15), p.7681-7689

2013

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Effect of pore size and shape on the thermal conductivity of metal-organic frameworks

Chemical science (Cambridge), 2017-01, Vol.8 (1), p.583-589

2017

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Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

Journal of the American Chemical Society, 2012-09, Vol.134 (36), p.15016-15021

2012

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Computational Design of Metal–Organic Framework Arrays for Gas Sensing: Influence of Array Size and Composition on Sensor Performance

Journal of physical chemistry. C, 2017-03, Vol.121 (11), p.6033-6038

2017

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Effect of Flexibility on Thermal Transport in Breathing Porous Crystals

Journal of physical chemistry. C, 2020-08, Vol.124 (34), p.18604-18608

2020

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Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration

Chemical engineering journal (Lausanne, Switzerland : 1996), 2011-07, Vol.171 (3), p.775-781

2011

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Thermal Transport in Interpenetrated Metal–Organic Frameworks

Chemistry of materials, 2018-04, Vol.30 (7), p.2281-2286

2018

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Optimizing information content in MOF sensor arrays for analyzing methane-air mixtures

Sensors and actuators. B, Chemical, 2018-08, Vol.267, p.483-493

2018

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Gram-scale, high-yield synthesis of a robust metal–organic framework for storing methane and other gases

Energy & environmental science, 2013-04, Vol.6 (4), p.1158-1163

2013

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Heat Flux for Many-Body Interactions: Corrections to LAMMPS

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

Large-scale screening of hypothetical metal-organic frameworks

Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates

Structure–property relationships of porous materials for carbon dioxide separation and capture

Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal–Organic Frameworks

Genetic Algorithm Design of MOF-based Gas Sensor Arrays for CO2-in-Air Sensing

High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room Temperature

Size Discrimination of Carbohydrates via Conductive Carbon Nanotube@Metal Organic Framework Composites

High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

Influence of Missing Linker Defects on the Thermal Conductivity of Metal–Organic Framework HKUST‑1

Mechanisms of Heat Transfer in Porous Crystals Containing Adsorbed Gases: Applications to Metal-Organic Frameworks

High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes

An Extended Charge Equilibration Method

Toward comprehensive exploration of the physisorption space in porous pseudomaterials using an iterative mutation search algorithm

Nanoscale Forces and Their Uses in Self-Assembly

Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

Effect of pore size and shape on the thermal conductivity of metal-organic frameworks

Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

Computational Design of Metal–Organic Framework Arrays for Gas Sensing: Influence of Array Size and Composition on Sensor Performance

Effect of Flexibility on Thermal Transport in Breathing Porous Crystals

Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration

Thermal Transport in Interpenetrated Metal–Organic Frameworks

Optimizing information content in MOF sensor arrays for analyzing methane-air mixtures

Gram-scale, high-yield synthesis of a robust metal–organic framework for storing methane and other gases

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