Conferences
31 March–1 April 2026, Online
Computation Webinar | Energy and Advanced Computing in the Age of Machine Learning: From Quantum to Grid, 31 March–1 April 2026
This two-day webinar brings together recent advances in computational methods, machine learning, and materials science, highlighting how modern simulation and data-driven approaches are transforming the understanding and design of complex systems.
Day 1 focuses on methodological and computational innovations. Topics include Monte Carlo entropic sampling applied to spin crossover nanoparticles to understand their thermodynamic behavior at the nanoscale, the development and fine-tuning of MACE foundation machine learning interatomic potentials for accurate and transferable atomistic modeling, and emerging approaches to improving productivity in high-performance computing through the integration of large language models and modern programming paradigms.
Day 2 shifts toward applications in energy storage, manufacturing, and next-generation computing materials. Presentations will cover digital twin frameworks for modeling battery manufacturing processes, computational studies of energy storage materials and interfacial phenomena, and redox-mediated electronic transport in metal–organic frameworks for neuromorphic computing. The program will also feature experimental and electrochemical work on the synthesis and characterization of sodium thiophosphate catholytes for nonaqueous redox flow batteries.
Together, the sessions provide a cohesive perspective on how advanced algorithms, machine learning, and multiscale modeling accelerate discovery and enabling new functionalities across materials for energy, electronics, and intelligent systems.
Date: 31 March–1 April 2026
Time: 4:30 p.m. CET | 10:30 a.m. EDT
Webinar ID: 854 8999 0073
Website: https://sciforum.net/event/Computation-3?subscribe
Register now for free!
Program (Day 1)—31 Mar 2026
|
Speaker/Presentation |
Time in CEST |
Time in EDT |
|
Dr. Diego E. Galvez-Aranda Chair Introduction |
4:30–4:35 p.m. |
10:30–10:35 a.m. |
|
Dr. Fakhrul Hasan Bhuiyan MACE Foundation Machine Learning Interatomic Potentials: Performance, Application, and Fine Tuning |
4:35–5:05 p.m. |
10:35–11:05 a.m. |
|
Q&A Session |
5:05–5:10 p.m. |
11:05–11:10 a.m. |
|
Dr. William F. Godoy ORNL Research in High-Productivity for HPC Software: LLMs and Programming Language |
5:10–5:40 p.m. |
11:10–11:40 a.m. |
|
Q&A Session |
5:40–5:45 p.m. |
11:40–11:45 a.m. |
|
Prof. Jorge Linares Monte Carlo Entropic Sampling Algorithm Applied to Spin Crossover Nanoparticle |
5:45–6:15 p.m. |
11:45 a.m.–12:15 p.m. |
|
Q&A Session |
6:15–6:20 p.m. |
12:15–12:20 p.m. |
|
Dr. Guillermina L. Luque Integrating Modeling and Experiment for Next-Generation Lithium Metal Batteries |
6:20–6:50 p.m. |
12:20–12:50 p.m. |
|
Q&A Session |
6:50–6:55 p.m. |
12:50–12:55 p.m. |
|
Dr. Diego E. Galvez-Aranda Closing of Day 1 |
6:55–7:00 p.m. |
12:55–1:00 p.m. |
Program (Day 2)—1 April 2026
|
Speaker/Presentation |
Time in CEST |
Time in EDT |
|
Dr. Diego E. Galvez-Aranda Chair Introduction |
4:30–4:35 p.m. |
10:30–10:35 a.m. |
|
Prof. Dr. Alejandro A. Franco Digital Twin on Battery Manufacturing Modelling |
4:35–5:05 p.m. |
10:35–11:05 a.m. |
|
Q&A Session |
5:05–5:10 p.m. |
11:05–11:10 a.m. |
|
Dr. Alejandro Aviles Sanchez Redox-Mediated Electronic Transport in Metal-Organic Frameworks for Neuromorphic Computing |
5:10–5:40 p.m. |
11:10–11:40 a.m. |
|
Q&A Session |
5:40–5:45 p.m. |
11:40–11:45 a.m. |
|
Dr. Ernesto Camilo Zuleta Suárez Solvent-Base Synthesis and Electrochemical Characterization of Sodium Thiophosphate Catholytes for Nonaqueous Redox Flow Batteries |
5:45–6:15 p.m. |
11:45 a.m.–12:15 p.m. |
|
Q&A Session |
6:15–6:20 p.m. |
12:15–12:20 p.m. |
|
Prof. Mauricio Galvez Legua Computational Modeling of Energy Storage Materials and Interfacial Phenomena |
6:20–6:50 p.m. |
12:20–12:50 p.m. |
|
Q&A Session |
6:50–6:55 p.m. |
12:50–12:55 p.m. |
|
Dr. Diego E. Galvez-Aranda Closing of Day 2 |
6:55–7:00 p.m. |
12:55–1:00 p.m. |
After registering, you will receive a confirmation email outlining how to join this webinar. Registrations with academic institutional email addresses will be prioritized.
Unable to attend? Register anyway, and we will let you know when the recording is available to watch.
Webinar Chair:
- Dr. Diego Eduardo Galvez-Aranda, Department of Chemical Engineering, Texas A&M University, USA.
Speakers (Day 1):
- Dr. Fakhrul Hasan Bhuiyan, Computational Science Division, Argonne National Laboratory, USA;
- Dr. William F. Godoy, Oak Ridge National Laboratory, Computer Science and Mathematics Division, USA;
- Prof. Jorge Linares, Laboratoire GEMAC, Université de Versailles SQY, France;
- Dr. Guillermina L. Luque, Universidad Nacional de Córdoba, Argentina.
Speakers (Day 2):
- Prof. Dr. Alejandro A. Franco, Université de Picardie Jules Verne, France;
- Dr. Alejandro Aviles Sanchez, Department of Chemical Engineering, Texas A&M University, USA;
- Dr. Ernesto Camilo Zuleta Suárez, Oak Ridge National Laboratory, Computer Science and Mathematics Division, USA;
- Prof. Mauricio Galvez Legua, Universidad Nacional de Ingenieria, Peru.
Relevant Special Issue:
“Energy and Advanced Computing in the Age of Machine Learning: From Quantum to Grid”
Guest Editor: Dr. Diego E. Galvez-Aranda
Deadline for manuscript submissions: 15 December 2026
