Coray Colina

(303b) Virtual Synthesis of Ultra Permeable and Selective Microporous Polymer Materials for Gas Separation: A Molecular Simulation Study

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

(367g) Water Desalination through Molecular Layer-By-Layer Membranes: Insights from Molecular Dynamics Simulations

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

(377c) Pysimm: A Python Package for Simulation of Amorphous Polymeric System

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

Michael E. Fortunato

(253an) Nusimm: A User-Friendly Cloud Based Web Interface for Performing Molecular Simulations

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

Michael E. Fortunato

(200a) In Silico Design to Catalyze Materials Breakthroughs

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

(397p) The Accuracy of Pore Size Distribution Obtained from Non-Local Density Functional Theory in Amorphous Microporous Materials - Polymers and Large Organic Molecules

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

Grit Kupgan

(682e) Sorption-Relaxation Behavior in Polymers of Intrinsic Microporisity during Gas Separation from Molecular Simulations

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

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

(1f) Using Python to Standardize and Format Input to Popular Molecular Simulation Software

(147e) Molecular Modeling of Polymeric Systems

Michael E. Fortunato

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

(189cp) Screening of Nano Porous Materials for Large-Scale Molecular Separations

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

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

(17c) Structure-Function-Dynamics Relationships in Next Generation Protein-Polymer Conjugates

Stefanie Baker

Aravinda Munasinghe

Hironobu Murata

Krzysztof Matyjaszewski

(704h) Rapid Prediction of Adsorption in Hyper-Crosslinked Polymers: Expanding the Chemical Space for Adsorption and Separation

Alan Russell

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

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

(376q) Structure and Gas Transport Properties of Organic Mixed Matrices: Polymers of Intrinsic Microporosity with Organic Molecules of Intrinsic Microporosity

(734d) ?Polymer Bioconjugates: An in silico Perspective

Alexander Demidov

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

(648a) Atomistic Insight Towards the Effects of Conjugated Charged Polymers to ?-Chymotripsin

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

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

(376w) Deciphering the Effects of a Triple Mutation on the Structure and Dynamics of Human Interferon Alpha 2-a Via Atomistic Simulations

B. Lakshitha A. Perera

(350g) The Importance of Pore Connectivity in Gas Adsorption Atomistic Simulations for Porous Polymers

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

Dylan Anstine

(420h) Beyond Ideal Networks: Understanding Poly(acrylamide)-Based Hydrogel Materials Via Atomistic Modeling

Maciej Haranczyk

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

Dylan Anstine

Grit Kupgan

(376ag) Atomistic Insight Toward Dynamic Interactions in Pegylated Bovine Serum Albumin

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

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

(346ar) Evaluating the Adsorption Landscape for Polymers of Intrinsic Microporosity

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

(373j) Polymeric Membranes in silico: Perspectives on Binary Separations and Sorbate Swelling

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

(178g) Combining Molecular Simulation and Machine Learning to Find Optimal Conditions for Hydrogen Storage and Hydrogen/Nitrogen/Ammonia Separation

Yangzesheng Sun

Roshan Ashokbhai Patel

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

(539c) Predictive Modeling of Microporous Polymeric Adsorbents of Complex Sorbates

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

(582g) Incorporating Flexibility Effects into Metal-Organic Frameworks Adsorption Simulations

David Sholl

Zhenzi Yu

Dylan Anstine

Salah Eddine Boulfelfel

(475h) Investigating Ion Transport, Mechanical Properties, and Stability of Tetraalkylammonium-Functionalized Polyethylene Using Molecular Dynamics Simulations

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

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(177aa) Exploring the Contributions of Vehicular and Grotthuss Diffusion Mechanisms in Anion Exchange Membranes Using Molecular Dynamics Simulations

Mohammed Al Otmi