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Objectives:

• Bring together researchers and students interested in computational chemistry and physics.

• Present a series of invited talks from experts in the field, covering theoretical foundations, recent developments, and case studies.

• Demonstrate the role of computational simulations in bridging theory and experiment.

• Introduce emerging trends, including machine learning and AI-driven approaches in computational chemistry and physics.

• Foster collaborations and knowledge exchange.

• Bring together researchers and students interested in computational chemistry and physics.

• Discuss how to impulse a dynamic in this field at CYU and associated partners.

• A tutorial session on Quantum Chemical Computations.

Invited Speakers:

• Duncan Bossion, Université de Rennes

• Marie-Pierre Gaigeot, Université d'Evry val d'Essone Paris

• Majdi Hochlaf, Université Gustave Eiffel

• Bogdan Iorga, Université Paris-Saclay

• Liuba Mazzanti, Université Paris-Saclay

• Gunnar Nyman, University Of Gothenburg

• Rita Prosmiti, Institute of Fundamental Physics, Madrid

• Alejandro Rivero Santamaria, Université de Lille

Contributed Talks:

• Clarke Esmerian (Chalmers University of Technology, Sweden)

• Maikel Ballester (Universidade Federal de Juiz de Fora, Brazil)

• Salah-Eddine (CY Cergy Paris Université, France)

• Aliezer Martinez (University of Havana, Cuba)

• Hema Malani (Kyoto University, Japan)

• Dimitris Kotzinos (CY Cergy Paris Université, France)

• Michel Lorin (CY Cergy Paris Université, France)

• François Dulieu (CY Cergy Paris Université, France)

• W. M. C. Sameera (CY Cergy Paris Université, France)

• Himasha Gunathilaka  (University of Colombo, Sri Lanka)

• Nishshanka M. Lakshan (The Ohio State University, Columbus, Ohio, USA)

Find the program here

Schedule:

The schedule communicated now is an early preview of the actual schedule and is subject to evolve. Please check back later for the complete schedule.

• Monday, 8th of June, afternoon: Scientific sessions

• Tuesday, 9th of June, entire day: Scientific sessions

• Wednesday, 10th of June, morning: Scientific sessions

• Thursday, 11th of June, entire day: Practicals

• Friday, 12th of June, entire day: Practicals

Scientific Organizing Committee:

François Dulieu
Florian Gallier
Dimitrios Kotzinos
Michel Lorin
Sebastien Peralta
Guy Trambly De Laissardière
Llinersy Uranga Pina
Sameera WMC

Location:

Maison internationale de la recherche, Neuville campus
Adress: 1 Rue Descartes, 95000 Neuville-sur-Oise, France

Practical Sessions:

During the last two days of the week, hands-on tutorial sessions in computational chemistry and machine learning will be held at CY Cergy Paris Université (Neuville). Sessions will be delivered in person and/or online, and are designed for beginners, with step-by-step guidance and practical examples.
 

The thursday session will be focused on computationnal chemistry and will cover: (More details: See PDF at the bottom of the page)

• Introduction to computational chemistry

• Setting up and running electronic structure calculations

• Reaction pathway calculations and thermochemical and kinetic analysis

• Multi-scale models

The friday session will be dedicated to Artificial intelligence and will be divided in 6 modules: (More details: See PDF at the bottom of the page)

1. Introduction: Basic concepts of Machine learning 

2. Denoising: Spectral signals

3. Mapping, extraction of main features: Spectra, images

4. Morphometry: Microscopy

5. Computer vision: Failure detection, main features detection in images

6. Collaborative group projects: Related projects of general interest.

Registration:

The event is free to attend.

To register, please fill the following form: https://forms.gle/SHGPYmug1hvHXWfC9

The scientific sessions will take place in person, and may be broadcast and recorded if the speaker agrees. The practical sessions will be hybrid online/in-person.

To apply for an oral or poster presentation, email us directly, using the template provided at the bottom of this page, or at the following link: https://tinyurl.com/yzdrxtt7
 

Contact:

Current list of participants: