Frick Chemistry Building

WiFi: use eduroam or puvisitor

Thursday, June 15

8:00 am – 9:00 am Registration
9:00 am – 9:15 am Welcome
Morning Session Chairs Chair: Andrew Ferguson
Co-Chairs: Harold Hatch, Gül Zerze
9:15 am – 9:45 am

Sharon Glotzer

Fluid-Fluid Phase Transitions in Entropic Systems

9:45 am – 10:15 am

Peter Poole

Thermodynamics of Two-Step Nucleation

10:15 am – 10:35 am

Amir Haji-Akbari

How Does Pore Density Impact Ion Selectivity of Nanoporous Membranes?

10:35 am – 11:05 am Coffee in the Atrium
Someone pouring coffee
Mid-Morning Session Chairs Chair: Thomas Truskett
Co-Chairs: Harold Hatch, Gül Zerze
11:05 am – 11:35 am

Carlos Vega

Simulation Studies of Supercooled Water and Electrolyte Solutions

11:35 am – 11:55 am

Jeremy Palmer

PH Response of Sequence-Controlled Polyampholyte Brushes

11:55 am – 12:25 pm

Valeria Molinero

What is MDA?

12:25 pm – 1:30 pm Lunch in the Atrium 
forks and knife
Afternoon Session Chairs Chair: Jeremy Palmer
Co-Chairs: Amir Haji-Akbari, Jack Weis
1:30 pm – 2:00 pm

Emily Carter

Carbon Dioxide Utilization: Insights from Quantum Based Simulations

2:00 pm – 2:30 pm

Yannis Kevrekidis

As Good as it Gets!

2:30 pm – 2:50 pm

Nicolas Giovambattista

The Importance of Nuclear Quantum Effects in Water

2:50 pm – 3:10 pm

Harold Hatch

Multiscale Modeling of Monoclonal Antibodies in High Concentration Formulations

3:10 pm – 3:40 pm

Paola Gallo

Local Structure and Slow Dynamics of Water in Biosolutions Upon Supercooling

3:40 pm – 4:10 pm Coffee in the Atrium 
someone pouring coffee
Late Afternoon Session Chairs Chair: Sumit Sharma
Co-Chairs: Amir Haji-Akbari, Jack Weis
4:10 pm – 4:40 pm

Sal Torquato

Hyperuniformity: A Generalized Notion of Long-Range Order in Condensed Matter

4:40 pm – 5:00 pm

Carol Hall

Computational Design of Peptides

5:00 pm – 5:30 pm

Giancarlo Franzese

A Quantitatively Correct Water Model for Large-Scale Simulations under Life-Relevant Conditions and its Extrapolation to the Supercooled Region

5:30 pm – 6:00 pm


6:30 pm – 8:00 pm

Reception at Palmer House



Friday, June 16

Morning Session Chairs

Chair: Scott Shell
Co-Chairs: Rakesh Singh, Jack Weis

8:30 am – 9:00 am

Peter Rossky

Solvation Effects on the Interfacial Ordering of Polymers with Implications for Thin-Film Morphology.                                                                                                          

9:00 am – 9:20 am

Sapna Sarupria

A Symphony of Interactions: Interfacial Water, Ions, and Phase Transitions

9:20 am – 9:40 am

Andrew Ferguson

Tubes or Sheets?: Prediction and Understanding of Peptoid Supramolecular Assembly

9:40 am – 10:10 am

Arup Chakraborty

Lessons in Human Immunology from COVID Vaccination

10:10 am – 10:40 am Coffee in the Atrium
Someone pouring coffee
Mid-Morning Session Chairs Chair: Jeffrey Errington
Co-Chairs: Rakesh Singh, Jack Weis
10:40 am – 11:10 am

Anders Nilsson

Experimental Evidence for a Liquid-Liquid Critical Point in Bulk Supercooled Water

11:10 am – 11:30 am

Betul Uralcan

Capacitive Response Under Confinement: Fundamental Insights Into Charge Storage Mechanisms in Nanopores

11:30 am – 12:00 pm

Hajime Tanaka

A Unified Description of Water’s Thermodynamic and Dynamic Anomalies and Criticality According to a Two-Order-Parameter Model

12:00 pm – 12:30 pm

Francesco Sciortino

Structural and Topological Changes Across the Liquid-Liquid Transition in Water

12:30 pm – 1:30 pm Lunch in the Atrium 
forks and knife
Afternoon Session Chairs Chair: Sapna Sarupria
Co-Chairs: Betül Uralcan, Andrew Ferguson
1:30 pm – 1:50 pm

Jean Tom

Applications of Statistical Methods and Probability Theory to Chemical Process Development of New Chemical Entities

1:50 pm – 2:20 pm

Srikanth Sastry

Energy Landscape View of Yielding and Fatigue Failure in Glasses

2:20 pm – 2:50 pm

Thomas Loerting

40 Years of Polyamorphism

2:50 pm – 3:20 pm

Mikhail Anisimov

Peculiar Thermodynamics of Interconverting Species

3:20 pm – 3:50 pm Coffee in the Atrium
Someone pouring coffee into a cup
Late Afternoon Session Chairs

Chair: Thomas Gartner

Co-Chairs: Betül Uralcan, Andrew Ferguson

3:50 pm – 4:20 pm

Juan de Pablo

Control of Topological Defects in Active Liquid Crystals

4:20 pm – 4:40 pm

Scott Shell

Inverse Design of Water-Mediated Interactions

4:40 pm – 5:10 pm

Mark Ediger

Ultrastable (and Ultrastructured) Glasses

5:10 pm – 5:40 pm

Ken Dill

Maximum Caliber: The Variational Principle of NON-Equilibria

5:40 pm – 6:00 pm

Rakesh Singh

Anomalies and Criticality in Supercooled Water: An Energy Landscape Perspective

6:00 pm – 7:00 pm Cocktails in the Atrium 
beer and wine
7:00 pm – 9:00 pm Symposium Dinner in the Atrium 
forks and knife

Saturday, June 17

Morning Session Chairs

Chair: Amir Haji-Akbari
Co-Chairs: Thomas Gartner, Jeremy Palmer

8:30 am – 9:00 am

Sanat Kumar

Polymer Recycling/Upcycling

9:00 am – 9:20 am

Gül Zerze

Does Confinement Stabilize Folded RNA?

9:20 am – 9:50 am

Joan Brennecke

Gas Separations with Ionic Liquid-Based Facilitated Transport Membranes

9:50 am – 10:10 am

Sumit Sharma

Adsorption and Self-Assembly of Surfactants at Metal-Water Interfaces Studied Using Molecular Simulations

10:10 am – 10:40 am Coffee in the Atrium
Someone pouring coffee
Mid-morning Session Chairs

Chair: Rakesh Singh
Co-Chairs: Thomas Gartner, Jeremy Palmer

10:40 am – 11:10 am

Roberto Car

Machine Learning and Coarse-Graining in Molecular Simulations

11:10 am – 11:40 am

Rodney Priestley

Ultra-Dense Polymer Brushes

11:40 am – 12:00 pm

David Corti

On the Thermodynamics of Small Systems

12:00 pm – 12:30 pm

Amish Patel

On the Engulfment of Antifreeze Proteins by Ice

12:30 pm – 1:30 pm Lunch in the Atrium 
forks and knife
Afternoon Session Chairs

Chair: Gül Zerze
Co-Chairs: Sumit Sharma, Sapna Sarupria

1:30 pm – 1:50 pm

Thomas Truskett

Illuminating Disorder

1:50 pm – 2:20 pm

David Kofke

On the Activity Virial Series

2:20 pm – 2:40 pm

Jeffrey Errington

Molecular Simulation Study on the Wetting Behavior of Zwitterion Grafted Polymer Membranes

2:40 pm – 3:00 pm

Thomas Gartner

Successes and Challenges of Machine Learning Potentials: Modeling Water's Liquid-Liquid Transition and Polyolefin Thermal Degradation\