Our group members will be attending the 2020 Virtual AIChE meeting, scheduled on Monday, November 16 – Friday, November 20. All talks will be pre-recorded and our members will be available for questions in the time allotted, listed chronologically below in pacific standard time (PST). Feel free to check them out and ask our group members challenging questions!
Simulation-Driven Design of Chemoresponsive Liquid Crystal Sensors By Tuning Analyte Partitioning
Jonathan K. Sheavly, Jake Gold, Manos Mavrikakis, and Reid C. Van Lehn
Monday, November 16, 2020, 8:00 AM – 9:00 AM [iPoster]
Combining Molecular Simulations and Machine Learning for Nanomaterial and Reaction Design
Alex K. Chew
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Leveraging Molecular Simulations and Data Science to Improve the Design of Biomaterials with Fine-Tuned Hydrophobicity
Bradley C. Dallin
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Predicting Perturbations to Water Structure By Chemically Heterogeneous Self-Assembled Monolayers to Understand Context-Dependent Hydrophobicity
Bradley C. Dallin, Atharva Kelkar and Reid C. Van Lehn
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Combining Molecular Dynamics and Machine Learning to Predict Interfacial Properties
Atharva Kelkar, Bradley C. Dallin, and Reid C. Van Lehn
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Simulations of the Bilayer-Mediated Assembly of Cationic Nanoparticles on Phase-Separated Lipid Bilayers
Jonathan K. Sheavly and Reid C. Van Lehn
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Molecular Simulations to Characterize the Assembly and Transport of Biomolecules in Solution and at Lipid Interfaces
Samarthaben J. Patel
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Utilizing Molecular Dynamics Simulations to Predict the Modulation of Interfacial Hydrophobicity By Chemical and Physical Properties
Bradley C. Dallin and Reid C. Van Lehn
Wednesday, November 18, 2020, 8:00 AM – 9:00 AM [iPoster]
Predicting Biological Interactions to Monolayer-Protected Gold Nanoparticles Using Molecular Simulation-Derived Descriptors
Alex K. Chew, Bradley C. Dallin, and Reid C. Van Lehn
Friday, November 20, 2020, 8:00 AM – 9:00 AM [iPoster]
Characterizing the Translocation of Charged Peptide Loops across Lipid Bilayers with Molecular Dynamics Simulations
Samarthaben J. Patel and Reid C. Van Lehn
Friday, November 20, 2020, 8:00 AM – 9:00 AM [iPoster]
Presentations by our collaborators:
Characterizing Complex Solvent Environments in Acid-Catalyzed Reactions Using Molecular Dynamics Simulations and 3D Convolutional Neural Nets
Shengli Jiang, Alex K. Chew, Weiqi Zhang, Reid C. Van Lehn, and Victor M. Zavala
Tuesday, November 17, 2020, 8:00 AM – 9:00 AM [iPoster]
Topological Data Analysis: Applications to Soft Matter and Molecular Simulations
Alexander Smith, Alex K. Chew, Reid C. Van Lehn, Nicholas L. Abbott, and Victor M. Zavala
Wednesday, November 18, 2020, 8:00 AM – 9:00 AM [iPoster]
Recycling of Multilayer Plastic Packaging Materials By Solvent-Targeted Recovery and Precipitation
Theodore Walker, Kevin Sanchez-Rivera, Min Soo Kim, Zhizhang Shen, Alex K. Chew, Steven Grey, James A. Dumesic, Reid C. Van Lehn, and George W. Huber
Wednesday, November 18, 2020, 8:00 AM – 9:00 AM [iPoster]