Molecular
Simulations
for
Subsurface
Engineering
MSSE
September 1-4, 2026 - Online
An elite four-day online summer school is dedicated to classical molecular modeling in subsurface engineering. The program features expert-led research lectures, targeted tutorials covering fundamental concepts, and guided hands-on computational exercises. It is designed for graduate-level students and early-career researchers from both academia and industry who are engaged in subsurface engineering, subsurface energy systems, and related fields.
Sessions Overview:
This summer school features a range of interactive formats designed to support learning, spark new ideas, and build practical experience:
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Invited Talks: Expert-led presentations exploring the use of molecular simulations in subsurface environments
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Tutorial Sessions: In-depth discussions on fundamental concepts in molecular simulations and subsurface engineering
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Hands-on Sessions: Practical exercises focused on implementing and applying molecular simulation techniques
What You Will Learn:
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Fundamentals of molecular simulations
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Principles of fluid-rock interactions and interfacial phenomena in porous media
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Modeling of transport properties, diffusion, and confinement effects
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Analysis and interpretation of simulation data for subsurface systems
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Multiscale perspectives linking molecular-scale mechanisms to reservoir-scale processes
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Best practices for setting up, running, and validating molecular simulations​
Invited Speakers
Hands-on sessions
SCHOOL SCHEDULE
DAY 01
Introduction to Molecular Simulations for Subsurface Engineering
DAY 02
Interfacial Phenomena in Subsurface Systems
DAY 03
Rock–Fluid Interactions at Nanoscale under Reservoir Conditions
DAY 04
Transport Phenomena in Bulk and Confinement
ORGANIsERS
The Molecular Simulation for Subsurface Engineering (MSSE) summer school is organized by a multidisciplinary team of researchers at the University of Manchester with expertise spanning molecular simulation, porous media, subsurface transport, and energy systems engineering.
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Our aim is to provide participants with a rigorous and practical introduction to molecular-scale approaches for understanding complex subsurface processes, including fluid–rock interactions, transport phenomena, carbon storage, and underground energy systems. By combining expertise in computational modeling, thermodynamics, and subsurface engineering, the team aims to bridge the gap between fundamental molecular science and real-world engineering applications.
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Through invited lectures, tutorials, and hands-on training, we are committed to fostering the next generation of researchers and engineers working at the interface of molecular modeling and subsurface energy technologies.