The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks
(2017)
Journal Article
Lennox, M. J., Bound, M., Henley, A., & Besley, E. (2017). The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks. Molecular Simulation, 43(10-11), 828-837. https://doi.org/10.1080/08927022.2017.1301665
In recent years, the use of computational tools to aid in the evaluation, understanding and design of advanced porous materials for gas storage and separation processes has become ever-more widespread. High-performance computing facilities have becom... Read More about The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks.