3 papers
cond-mat.mtrl-sci2026
What makes a useful molecular model of biochar? A community roadmap
Valentina Sierra-Jimenez, Jonathan P. Mathews, Luca Bellucci +22
Biochars are disordered carbonaceous materials produced by biomass pyrolysis, with applications spanning soil amendment, water remediation, carbon storage, and functional materials…
cond-mat.mtrl-sci2025
Molecular Insights into Caprock Integrity of Subsurface Hydrogen Storage: Perspective on Hydrogen-induced Swelling and Mechanical Response
Mehdi Ghasemi, Mohamad Ali Ghafari, Masoud Babaei +1
The geological storage of hydrogen (H_2) requires reliable long-term caprock sealing, yet the nanoscale interactions between H_2 and clay minerals remain critically underexplored d…
cond-mat.mtrl-sci2024
Modelling realistic clay systems with ClayCode
Hannah Pollak, Matteo T. Degiacomi, Valentina Erastova
Clays are a broad class of ubiquitous layered materials. Their specific chemophysical properties are intimately connected to their molecular structure, featuring repeating patterns…