Aqueous Systems: The Frontier and Beyond
Kalamata, Greece
June 15-21, 2025

PROGRAM

Sunday, June 15, 2025

12:45 PM – 5:00 PM Arrival and check in

5:00 PM – 7:00 PM Welcome Reception

Monday, June 16, 2025

7:30 AM – 8:45 AM Breakfast

8:45 AM – 9:00 AM Welcome

9:00 AM – 9:35 AM Martina Havenith, Ruhr University Bochum, Germany
THz calorimetry probing the H-bonds in aqueous systems

9:35 AM – 10:10 AM Francesco Paesani, University of California
Realistic Modeling of Aqueous Solutions with Data-Driven Many-Body Potentials

10:10 AM – 10:45 AM Ioannis Skarmoutsos, Laboratory of Physical Chemistry, University of Ioannina, Greece
Computational prediction of the unique structural and dynamic features of water: Locally favored structures, plastic crystal polymorphism and structural transitions in near-critical and supercritical water

10:45 AM – 11:00 AM Coffee Break

11:00 AM – 11:35 AM Kristina Herman, University of Chicago
Descriptors of Cooperativity in Liquid Water and Ice

11:35 AM – 12:10 PM Lars G. M. Petterson, Stockholm University
Searching for local structure in water

12:10 PM – 12:45 PM Demeter Tzeli, National and Kapodistrian University of Athens, Greece
Encapsulation in Chalcogen-Bonded vs Ηydrogen-Βonded Cages

12:45 PM – 3:00 PM Lunch

3:00 PM – 3:35 PM Giancarlo Franzese, Universitat de Barcelona
Thermodynamically Accurate Water Simulations: A Reliable, Efficient, Scalable, and Transferable (REST) Model for 17 million molecules up to 50 MP and 100 K around ambient conditions on a single GPU

3:35 PM – 4:10 PM Nicolas Giovambattista, City University of New York, Brooklyn College
Isotope Substitution Effects on Water and a Description Based on the Potential Energy Landscape

4:10 PM – 4:25 PM Coffee Break

4:25 PM – 5:00 PM Sotiris Xantheas, Pacific Northwest National Laboratory and University of Washington
Pairwise additive and many-body non-additive effects in Chalcogen bonds juxtaposed to the ones in Hydrogen bonds

5:00 PM – 5:30 PM* Niamh O’Neill, University of Cambridge
From Accurate Quantum Mechanics to Converged Thermodynamics in Solution with Machine Learning Potentials

5:30 PM – 7:00 PM Dinner

Tuesday, June 17, 2025

7:30 AM – 9:00 AM Breakfast

9:00 AM – 9:35 AM Greg Voth, The University of Chicago
The Hydrated Excess Proton in Bulk Water and at Interfaces: A Problem Solved?

9:35 AM – 10:10 AM Ali Hassanali, International Center for Theoretical Physics
Towards a Data-Driven Understanding of Solvation

10:10 AM – 10:45 AM Sylvie Roke, EPFL STI IBI LBP
Quantifying hydrogen bonds in liquid water using correlated vibrational spectroscopy

10:45 AM – 11:00 AM Coffee Break

11:00 AM – 11:35 AM Styliani Consta, The University of Western Ontario
Multiscale Modeling of Electrostatic Phenomena and Chemical Reactivity in Nanoscale to Microscale Droplets

11:35 AM – 12:10 PM Theofanis Kitsopoulos, Max Planck Institute for Multidisciplinary Sciences and University of Southern Mississippi
Water formation on metal surfaces via H2 oxidation

12:10 PM – 3:00 PM Lunch

3:00 PM – 3:35 PM Pavel Jungwirth, IOCB Prague
Electrons in Polar Solvents: From Birch Reduction to Metallic Water

3:35 PM – 4:10 PM Ors Legeza, Wigner Research Centre for Physics
State-of-the-art in correlated electronic structure calculations via AI accelerators

4:10 PM – 4:25 PM Coffee Break

4:25 PM – 5:00 PM* Emmanouil Semidalas, National and Kapodistrian University of Athens
Post-CCSD(T) corrections in the S66 noncovalent interactions benchmark

5:00 PM – 5:35 PM Teresa Head-Gordon, UC Berkeley
Toward a Better Understanding of Microdroplet Chemistry

6:15 PM – 10:00 PM Conference Dinner – Psaroulis Winery

Wednesday, June 18, 2025

7:30 AM – 9:00 AM Breakfast

9:00 AM – 5:30 PM Excursion – Ancient Messene, Pylos, Gialova beach, King Nestor’s Palace

5:30 PM – 7:00 PM Dinner

Thursday, June 19, 2025

7:30 AM – 9:00 AM Breakfast

9:00 AM – 9:35 AM Pablo Debenedetti, Princeton University
Computational Investigation of Water Glasses with Machine Learning Potentials

9:35 AM – 10:10 AM Thomas Loerting, Institute of Physical Chemistry, University of Innsbruck, Austria
The impact of solutes on amorphous solid water: glass-transition temperatures and the first-order liquid-liquid transition

10:10 AM – 10:45 AM Greg Kimmel, Pacific Northwest National Laboratory
Structure and Transport Properties of Supercooled Water

10:45 AM – 11:00 AM Coffee Break

11:00 AM – 11:35 AM Anders Nilsson, Stockholm University
Accessing Waters “No-Mans Land” using X-ray Lasers

11:35 AM – 12:10 PM Venkat Kapil, University College London
Predicting the phase behaviours of nanoconfined water from first principles

12:10 PM – 12:45 PM Mischa Bonn, Max Planck Inst. Polymer Research
Spectroscopic light on nanoconfined water

12:45 PM – 3:00 PM Lunch

3:00 PM – 3:35 PM Livia Bove, CNRS, Paris & La Sapienza, Roma & EPFL
Ice I: The Matrix for Gas Hydrates under extreme conditions

3:35 PM – 4:10 PM Shun-ichi Ishiuchi, School of Science, Institute of Science Tokyo
Hydration effect on ion selective system studied by cold ion trap spectroscopy

4:10 PM – 4:25 PM Coffee Break

4:25 PM – 5:00 PM Kenneth Jordan, University of Pittsburgh
Accommodation of Protons and Electrons by Water Clusters

5:00 PM – 5:45 PM Bernd Winter, Fritz-Habar-Institut, Berlin, Germany
Liquid-jet photoelectron spectroscopy of aqueous solutions: Electron scattering, electronic structure and work functions

5:45 PM – 7:00 PM Dinner

Friday, June 20, 2025

7:30 AM – 9:00 AM Breakfast

9:00 AM – 9:35 AM Carlos Vega, Universidad Complutense de Madrid
Simulating electrolytes in water with simple models

9:35 AM – 10:10 AM Heather Allen, The Ohio State University
Water, Ions, and Hydration at Aqueous Interfaces revealed by Vibrational Sum Frequency Generation and Raman Spectroscopy

10:10 AM – 10:45 AM Richard J Saykally, University of California – Berkeley
Hydrogen Bond Network Rearrangement Dynamics in Water Clusters: Dramatic Effects of Librational Excitation on HB Tunneling Rates

10:45 AM – 11:00 AM Coffee Break

11:00 AM – 11:35 AM Akihiro Morita, Tohoku University
Revealing ion transport mechanisms at water-oil interface by multi-dimensional free energy analysis: hydration, fluctuation, and complexation

11:35 AM – 12:10 PM Georgios Fanourgakis, Department of Chemistry, Aristotle University of Thessaloniki, 54124, Thessaloniki, Greece
Graphene-Oxide-based Membranes for Water Desalination: Insights from Molecular Dynamics

12:45 PM – 3:00 PM Lunch

3:00 PM – 3:35 PM Ioannis Kapolos, University of the Peloponnese
Determination of the Diffusion Coefficients of Methane and Propane in Water by Reversed Flow Gas Chromatography

3:35 PM – 4:10 PM Fivos Perakis, Stockholm University
Exploring critical fluctuations and protein diffusion on Cryoprotected Aqueous Solutions

4:10 PM – 4:25 PM Coffee Break

4:25 PM – 5:00 PM* Xavier R Advincula, University of Cambridge
Proton and Hydroxide Behavior in 2D Materials: The Graphene- and hBN–Water Interfaces

5:30 PM – 7:00 PM Dinner

Saturday, June 21, 2025

7:30 AM – 9:00 AM Breakfast

9:00 AM – 7:00 PM (Optional) Excursion, Western Mani Peninsula: Diros caves, Limeni beach, historic town of Areopolis, dinner in town of Stoupa

Sunday, June 22, 2025

7:30 AM – 11:00 AM Breakfast and Departure

*Contributed talks

Click here to dowload the updated conference programe.