Jianzhong Wu

(92c) A Simple Model for Complex Fluids: The Challenges with Long-Range Interactions

2011 Annual Meeting

(183a) A New Theoretical Method for Rapid Prediction of Solvation Free Energy In Water

2011 Annual Meeting

(219e) Self-Consistent Equations Governing the Dynamics of Nonequilibrium Colloidal Systems

Shuangliang Zhao

2011 Annual Meeting

(642a) Density Functional Theory for the Structure and Dynamics of Electric Double Layers of Ionic Liquids

Shuangliang Zhao

2011 Annual Meeting

Ke Wang

(514c) Molecular Driving Forces of Crystallization: A Study of the Crystal Growth Rate From the Fluctuation-Dissipation Theorem

2012 AIChE Annual Meeting

(304f) How CO2 Diffuses into the Active Site of Carbonic Anhydrase: A Study By Molecular Dynamics Simulation and Multi-Scale Markov-State Modeling

2012 AIChE Annual Meeting

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(253s) Potential of Mean Force of siRNA and Pmal: Molecular Dynamics and Theoretical Analysis

Diannan Lu

(260w) How Ionic Valence and Concentration Affects the Electric Current Generation of in Nanochannel: A Study By Classical Density Function Theory

Jipeng Li

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(303d) A Rigorous Thermodynamic Framework for Isosteric Heat of Adsorption

Yun Tian

(757j) A Theoretical Study of Bulk and Inhomogeneous Hydration of Primary Amines

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Jia Fu

Shijie Sheng

(591b) Impurities in a Room-Temperature Ionic Liquid for Supercapacitors: Friend or Foe?

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(530f) Ion Selectivity in the Nanoporous Electrodes of Electrical Double Layer Capacitors with Room-Temperature Ionic Liquids

Kun Liu

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Justin Neal

(591e) Time-Dependent Density Functional Theory for Ion Transport in Room-Temperature Ionic Liquids

David J. Wesolowski

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Honglai Liu

(31g) How Confinement and Hydrophobicity Affect CO2 Diffusion from the Bulk Phase to the Active Site of Human Carbonic Anhydrase II: A Study Based on Coarse-Grained Molecular Dynamics Simulation and the Markov-State Model

Cheng Lian

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(192q) Molecular Simulation of Ionic Liquid Mixtures: Applications to Capacitive Energy Storage

Matt Thompson

Katherine L. Van Aken

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(336i) Becoming a Prausnitzian

(645g) Microscopic Insights Into the Electrochemical Behavior of Non-Aqueous Electrolytes in Electric Double-Layer Capacitors

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(776d) Toward Efficient Prediction of Gas Self-Diffusivity in Porous Materials

De-en Jiang

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Yu Liu

Jia Fu

(520a) Long-Range Angular Correlations in Liquid Water

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Yu Liu

(395i) Classical DFT for Large-Scale Screening of Nanoporous Materials

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Jia Fu

Yu Liu

(329a) Contact-Value Self-Consistency in Density Functional Theory Calculations

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Jian Jiang

Dapeng Cao

(520d) Not a Tiny Bit of Iceberg Near a Hydrophobic Molecule

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Yun Tian

Jehoon Kim

(175b) Towards De Novo Design of Bioadhesives with Classical DFT and Genetic Algorithm

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(742f) Phase Behavior of the Primitive Model of Ionic Liquid in the Slit Pore: A Density Functional Approach with the Association Concept

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Kun Liu

(560av) Polyelectrolytes Enabled Co-Localization of Enzyme Cascades for One-Pot Synthesis

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(560il) Molecular Dynamics Simulation of Graphene Oxide-Enzyme Assembly for Gaseous Catalysis

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(560gu) High Performance Enzymatic-Transesterification in an Anhydrous Gas Flux Using Lipase Encapsulated in Graphene Oxide Aerogel

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(242g) Towards Inverse Design of Nanoporous Materials for Isotope Separation

(215c) Machine Learning of Carbon Electrodes for Electric Double Layer Capacitors

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(206e) Classical Density Functional Theory for Surface Charge Regulation of Oil-Brine-Rock Systems

Gary Min Chiang Ong

(31e) An Efficient Method to Calculate the Diffusivity of Non-Spherical Molecules in Nanoporous Materials

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(557b) Towards a Predictive Coarse-Grained Model for Computational Design of Bioadhesives

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(363b) Modeling Charge Regulation and Surface Forces Due to Weak Polyelectrolytes

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

Gary Min Chiang Ong

(538g) Towards a Predictive Coarse-Grained Model for Computational Design of Bioadhesives

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(565h) Charge Regulation of Weak Polyelectrolytes in Inhomogeneous Solutions

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

Gary Min Chiang Ong

(609g) GPU-Empowered High-Throughput Screening of Metal-Organic Frameworks for Efficient Membrane Separation of C2H4/C2H6

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(342v) Toward Data-Driven Approaches to Inverse Design: Fast and Accurate Evaluation of Gas Adsorption and Diffusivity in Nanoporous Materials

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)