2021 Annual Meeting

Session: Thermodynamics at the Nanoscale

Chair

Nathan Mahynski, National Institute of Standards & Technology

Co-Chairs

Sriramvignesh Mani, The University of Chicago
Utkarsh Kapoor, Oklahoma State University

Presentations

08:00 AM

(593a) Free Energy Simulations Along Entropic Pathways: Sampling Phase Transitions at the Nanoscale
Caroline Desgranges, Jerome Delhommelle

08:14 AM

(593b) Probing Metal Nanocrystal Shapes and Shape Transformations Using Replica Exchange Molecular Dynamics Simulations
Tianyu Yan, Kristen Fichthorn

08:54 AM

(593d) Free Energy Calculation on Human Beta Defensin Translocation through Bacterial Lipid Membranes
Ann Brewer, Liqun Zhang

09:08 AM

(593e) Phase Transition and Criticality of Methane Confined in Nanopores
Huan Yang, Xingdong Qiu, Hertanto Adidharma, Morteza Dejam, Sugata P. Tan

09:22 AM

(593f) [Invited Talk] Re-Entrant Dynamics and Anomalous Fluctuations in Strongly Confined Liquids
Jeremy Palmer

09:48 AM

(593g) Free Energy Landscape of Alkanes Confined within Supramolecular Complexes
Henry Ashbaugh, Busayo Alagbe, Bruce C. Gibb

10:02 AM

(593h) Hydration Free Energies of Linear Alkanes Studied Via Molecular Simulations
Sumit Sharma, Abolfazl Faeli Qadikolae

10:16 AM

(593i) Molecular Dynamics Simulations of Nanostructures Formed By Hydrophobins and Oil in Seawater
Francisco Hung, Andres Vodopivec, Yuwu Chen, Paul Russo