Milner, S. T.

Authored

(274c) Tight-Binding Model Predicts Exciton Energetics and Structure on Conjugated Molecules Used in Organic Photovoltaics.
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(695c) Multi-Scale Modeling of Electrocatalytic Processes within the Electrochemical Double Layer
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(197ab) Modeling Electrode-Electrolyte Interfacial Effects during Specific Alkali Metal Cation Adsorption Using a DFT/FF-MD Approach
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(491h) Atomistic Simulations of Ion Mobilities in Lithium-Ion Batteries
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(427e) Incorporating Electrode-Electrolyte Interfacial Effects on the Specific Adsorption of Ions on Late Transition Metal Surfaces Using a Combined DFT/FF-MD Approach
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(2hp) Multi-Scale DFT/MD Computational Approaches to Condensed Phase and Electrocatalytic Reactions.
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(343c) Design Driven Trends in Transport and Stability of Biomimetic Membranes with Highly Selective Water Channels
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(709c) A Combined Classical MD and DFT Approach for Modeling Ionic Adsorption on Metal Electrodes with Explicit Description of the Electrical Double Layer.
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(357af) Transport and Stability of Biomimetic Membranes with Highly Selective Water Channels
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(561a) Predicting Mixing Free Energy for Polymers with Atomistic Simulations
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(360ad) Electrical Double Layer Capacitance and Polarizability Modeled Using Classical Molecular Dynamics.
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(496d) Tight-Binding Model Accurately Describes Frontier Orbitals of Conjugated Oligomer Acceptors for Organic Solar Cells
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(597f) A Combined DFT and Classical Force-Field Approach for Modeling Kinetics of Acid-Catalyzed Reactions in Mixed Solvents.
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(524g) Simulation Based Design of Polymeric Membranes with Biomimetic Water Channel
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(551f) Predicting ? for Polymer Blends with “Morphing” Simulations
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(28a) Experimental and Theoretical Nucleation Barriers for Polyethylene and Polypropylene
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(382b) Measuring Packing Length in Simulations for Different Polymer Architectures
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(648d) Predicting Nematic Coupling of Polybutadiene Using Atomistic Molecular Dynamic Simulations
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(230w) A Graph-Based Method for Structure Classification in Amorphous Materials
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(253cb) Coarse Grained Model of Conformational Disorder Effects on the Electronic States of Poly(3-hexylthiophene) Chains
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(251i) Molecular Dynamics Simulation of Twist Solitons in Isotactic Polypropylene Crystals
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(521h) Role of Thermal Fluctuations on Local Lattice Disorder and Charge Transport in Conjugated Polymers
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(724d) Molecular Dynamics Melting Simulation of Isotactic Polypropylene Using a Defect-Induced Method
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(145e) Using Atomistic Simulation to Determine the Optimal Aggregation Number of a Micelle, and Its Equilibrium with Polymer Surface in Aqueous Solution
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(521b) Coarse-Grained Model of Conformational Disorder Effects on the Intra-Chain Electronic Properties of Polythiophenes
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(289d) Predicting Nematic Phases for Semiflexible Polymers from Simulations
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

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