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JIANG Jianwen

Associate Professor, National University of Singapore. 2012-present
Assistant Professor, National University of Singapore. 2006-2011

Research Scientist, University of Delaware, USA. 2002-2005
Research Assistant Professor, University of South Carolina, USA. 2000-2001
Research Associate, University of California at Berkeley, USA. 1998-1999

PhD (Chem. Eng.) East China Univ. of Sci. and Tech. 1998
BEng (Chem. Eng.) East China Univ. of Sci. and Tech. 1994

Contact information:
4 Engineering Drive 4, Block E5, #02-13
117576, Singapore

Tel: (65) 6516-5083; Fax: (65) 6779-1936
Email: chejj@nus.edu.sg

Our research is focused on computational materials modeling and design, including solid-state materials and complex fluids such as nanoporous media, membranes, polymers, biomolecules and ionic liquids for energy, environmental and pharmaceutical applications (e.g. carbon capture, water treatment, drug delivery, etc). The objective is to provide microscopic and mesoscopic insights into macroscopic properties/phenomena, to bridge the gap between physical and engineering sciences in emerging areas, and subsequently to assist in the rational design of novel materials and the optimization of engineering processes. The research is in the multidisciplinary field of materials, chemistry, physics and engineering, and in collaboration with internal and external experimental groups.

News
We published an invited review "Computational Screening of Metal-Organic Frameworks for CO2 Capture” in Current Opinion in Green and Sustainable Chemistry. [2019-02]

We published an invited book chapter "Aqueous Separation in Metal-Organic Frameworks: From Experiments to Simulations”, in Aqueous Phase Adsorption: Theory, Simulations and Experiments, pp. 111-134, Jayant K. Singh and Nishith Verma (ed.), CRC Press (2018). [2018-11]

Zhiwei's manuscript "Computational screening of hydrophobic metal-organic frameworks for the separation of H2S and CO2 from natural gas" is featured as cover art in Journal of Materials Chemistry A. [2018-09]

Li Xu's manuscript "Methanol-to-olefin conversion in ABC-6 zeolite cavities: unravelling the role of cavity shape and size from density functional theory calculations" is featured as cover art in Physical Chemistry Chemical Physics. [2018-05]

Xian Kong's manuscript "Porous organic cage membranes for water desalination: a simulation exploration" is featured as cover art in Physical Chemistry Chemical Physics. [2017-07]

Zhongjin's manuscript "What are the key factors governing the nucleation of CO2 hydrate" is featured as cover art in Physical Chemistry Chemical Physics. [2017-06]

Krishna's manuscript "Water desalination through a zeolitic imidazolate framework membrane by electro- and thermo-osmosis: which could be more efficient?" is featured as cover art in ChemistrySelect. [2017-05]

Zhiwei's manuscript "High-throughput computational screening of 137953 metal-organic frameworks for membrane separation of a CO2/N2/CH4 mixture" is featured as cover art in Journal of Materials Chemistry A. [2016-10]

Zhiwei's manuscript "In silico screening of 4764 computation-ready, experimental metal-organic frameworks for CO2 separation" is featured as cover art in Journal of Materials Chemistry A. [2016-02]

Invited review article "Computational Amphiphilic Materials for Drug Delivery" is published in Frontier in Materials: Computational Materials Science. [2015-10]

The book "Metal-Organic Frameworks: Materials Modeling towards Potential Engineering Applications" edited by A/Prof. Jiang is published. [2015-03]

Invited article "CO2 capture in cation-exchanged metal-organic frameworks: holistic modeling from molecular simulation to process optimization" is publisehd in Chemical Engineering Science. [2015-02]

Invited review article "Cellulose dissolution and regeneration in ionic liquids: a computational perspective" is publisehd in Chemical Engineering Science. [2015-01]

The collaborative work with Prof. Yong Cui "Engineering Chiral Porous Metal-Organic Frameworks for Enantioselective Adsorption and Separation" is published in Nature Communications. [2014-07]

A/Prof. Jiang is invited to serve as an Editorial Board Member for Colloid and Interface Science Communications. [2014-05]

The collaborative work with Prof. Honglai Liu "Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane" is highlighted as a Hot Article in Physical Chemistry Chemical Physics Blog. [2014-03]

Invited review article "Molecular simulations in metal-organic frameworks for diverse potential applications" is publisehd in Molecular Simulation. [2014-02]

Zhongqiao's manuscript "Covalent-organic framework as a template to assemble carbon nanotubes into a high-density membrane: computational demonstration" is featured as cover art in Nanoscale. [2014-01]

Congratulation to Zhang Kang for being awarded the highly selective and competitive President's Graduate Fellowship. [2013-11]

A/Prof. Jiang is invited to serve as an Editorial Board Member for Scientific Reports, a journal from Nature Publishing Group. [2013-08]

Liling's manuscript "Sorption-induced structural transition of zeolitic imidazoalte framework-8: A hybrid molecular simulation study" is published in the Journal of American Chemical Society. [2013-03]

The collaborative work with Prof. Wanqin Jin "A homochiral metal-organic framework membrane for enantioselective separation" is featured as cover art in Chemical Communications. [2012-09]

Invited review article "Recent development of in silico molecular modeling for gas and liquid separations in metal-organic frameworks" is publisehd in Current Opinion in Chemical Engineering. [2012-05]

Invited book chapter "Metal-organic frameworks for CO2 capture: what are learned from molecular simulations" is published in Coordination Polymers and Metal Organic Frameworks. [2012-04]

Ravi wins the World Future Foundation Prize in Environmental and Sustainability Research. [2011-07]

Among the Top 20 Most-Cited articles published by Langmuir during the last three years (2008-2010), 3 articles are from our group. [Accessed on 2011-04]

Invited review article "Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: From zeolites, metal-organic frameworks to protein crystals" is published in Chemical Society Reviews. [2011-03]

Anjaiah's manuscript "Biofuel purification by pervaporation and vapor permeation in metal-organic frameworks: A computational study" is featured as cover art in Energy & Environmental Science. [2011-02]

Dr. Jiang receives the IES Prestigious Engineering Achievement Award from the Institution of Engineers (Team Award). [2011-01]

Dr. Jiang receives the Teaching Honours List Award from the Faculty of Engineering. [2010-11]

Invited book chapter "Molecular Computations of Adsorption in Nanoporous Materials" is published in Adsorption and Phase Behaviour in Nanochannels and Nanotubes. [2010-10]

Invited book chapter "Molecular Modeling and Simulation for Phase Behavior of Protein Solutions" is published in Thermodynamics of Amino Acid and Protein Solutions. [2010-07]

Yifei's manuscript "A bio-metal-organic framework for highly selective CO2 capture: A molecular simulation study" is published in the thematic issue on CO2 Capture and Sequestration by ChemSusChem. [2010-05]

Ravi's manuscript "Upgrade of natural gas in rho zeolite-like metal-organic framework and effect of water: A computational study" is featured as cover art in Energy & Environmental Science. [2009-10]

Ravi's manuscript "Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated and charged metal-organic frameworks" is featured as cover art in Langmuir. [2009-06]