List of works - Qingyuan Yang

A Self-Evolutionary Methodology for Reverse Design of Novel MOFs

scientific article published in 2022

A force field for dynamic Cu-BTC metal-organic framework

scientific article published on 28 April 2010

A new type of halogen bond involving multivalent astatine: an ab initio study

scientific article published on 01 July 2019

A robust amino-functionalized titanium(iv) based MOF for improved separation of acid gases.

scientific article published in October 2013

A series of isoreticular, highly stable, porous zirconium oxide based metal-organic frameworks

scientific article published on 09 August 2012

A water stable metal-organic framework with optimal features for CO2 capture

scientific article published on 20 June 2013

Acid-functionalized UiO-66(Zr) MOFs and their evolution after intra-framework cross-linking: structural features and sorption properties

An evaluation of UiO-66 for gas-based applications

scientific article published on 28 September 2011

An in situ self-assembly template strategy for the preparation of hierarchical-pore metal-organic frameworks.

scientific article

CH4 storage and CO2 capture in highly porous zirconium oxide based metal-organic frameworks

scientific article published on 29 August 2012

Computational study of nanoparticle dispersion and spatial distribution in polymer matrix under oscillatory shear flow.

scientific article published on 29 October 2013

Development of computational methodologies for metal-organic frameworks and their application in gas separations.

scientific article published on 5 July 2013

Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: a computational study.

scientific article published in July 2006

Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study

Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration

scientific article published on 29 July 2011

Guest dependent pressure behavior of the flexible MIL-53(Cr): a computational exploration.

scientific article published on 23 December 2011

Highly selective adsorption and separation of aniline/phenol from aqueous solutions by microporous MIL-53(Al): a combined experimental and computational study

scientific article published on 08 October 2014

Ionic liquid functionalized multi-walled carbon nanotubes/zeolitic imidazolate framework hybrid membranes for efficient H2/CO2 separation

scientific article published on 01 December 2015

Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation

scientific article published on 03 December 2019

Materials genomics methods for high-throughput construction of COFs and targeted synthesis

scientific article published in Nature Communications

Molecular simulation of hydrogen diffusion in interpenetrated metal–organic frameworks

article

Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect)

scientific article published on 01 September 2014

Molecular simulation study of the stepped behaviors of gas adsorption in two-dimensional covalent organic frameworks

scientific article published on 01 February 2009

Probing the dynamics of CO2 and CH4 within the porous zirconium terephthalate UiO-66(Zr): a synergic combination of neutron scattering measurements and molecular simulations

scientific article published on 28 June 2011

Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.

scientific article published on 17 June 2014

Revealing the structure-property relationships of metal-organic frameworks for CO2 capture from flue gas

scientific article published on 06 August 2012

Studies of capillary phase transitions of methane in metal-organic frameworks by gauge cell Monte Carlo simulation

scientific article published on 01 April 2010

Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification

scientific article published on 22 March 2016

Understanding hydrogen adsorption in metal-organic frameworks with open metal sites: a computational study

scientific article published in January 2006

List of works by Qingyuan Yang