Shell, M. S.

Authored

(563b) Sequence Modulates Polypeptoid Hydration Water Structure and Dynamics
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(264d) Overcoming the Permeability-Selectivity Tradeoff Via the Design of Heterogeneous Pore Wall Chemistries
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(31b) Using Derivative Information from Molecular Simulations to Enhance Predictions of Structural Properties across State Conditions
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
Molecular Dynamics Simulations of Polypeptoids Reveal the Effects of Chemistry and Topology on Local Water Behavior
2020 Virtual Annual Student Conference
(286a) Charting the Design Space of Chemically-Heterogeneous Surfaces That Manipulate Water-Mediated Interactions
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(29a) Design of Pore Wall Chemistry to Control Solute Transport and Selectivity
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(702c) Computational Design of Water-Mediated Interactions
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(469b) Nanoparticle Transport across Biomembranes: Probing the Limits and Consequences of Solubility-Diffusion Theories through Multiscale Modeling
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(159g) Water-Mediated Interactions Involving Heterogeneous Molecules, Surfaces, and Phases
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(91a) Introduction
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(260e) Tuning Proximal Water Diffusion Via Silanol Patterning on Quartz Surfaces
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(551a) Systematic Multiscale Models and Physics Using the Relative Entropy
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(31a) Understanding Peptide Assembly with Coarse-Grained Models Designed By Information Theory (Invited Talk)
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192v) Scaling of Peptide Sequence-Dependent Hydrophobic Interactions from Experiment and Simulation
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(658d) The Puzzling Stability of Nanobubbles: Theoretical and Simulation Insights (Invited Talk)
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(272e) A Systematic Coarse-Graining of Molecular Dynamics Simulations: Thermodynamic and Transport Properties
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(373b) Multiscale from Molecular to Continuum: A Hybrid Simulation Method for Multicomponent Systems
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(746c) Improved Coarse-Grained Models through Local Density Potentials Optimized with the Relative Entropy
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(469c) Hybrid Molecular-Continuum Simulations Using Smoothed Dissipative Particle Dynamics
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(715f) Single-Molecule Hydrophobic Interactions: From Experiment to Simulation and Equilibrium to Non-Equilibrium
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(667h) Molecular Insights Into Diphenylalanine Nanotube Assembly: All-Atom Simulations of Oligomerization
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(469a) Novel Coarse-Graining Techniques Based on the Relative Entropy
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(717d) A Molecular Thermodynamic Model for Nanoparticle-Membrane Interactions
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

Related Proceedings

2013 AIChE Annual Meeting2014 AIChE Annual Meeting2015 AIChE Annual Meeting Proceedings2016 AIChE Annual Meeting2017 Annual Meeting2018 AIChE Annual Meeting2019 AIChE Annual Meeting2020 Virtual AIChE Annual Meeting2020 Virtual Annual Student Conference2021 Annual Meeting