Publications of Adolfo B. Poma

Moreira, R. A.; Weber, S. A. L.; Poma, A. B.: Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides. Macromolecules 27 (3), 976 (2022)

Martínez, M.; Cooper, C. D.; Poma, A. B.; Guzman, H. V.: Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach. Journal of Chemical Information and Modeling 60 (2), pp. 974 - 981 (2020)

Poma, A. B.; Delle Site, L.: Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling. Physical Chemistry Chemical Physics 13 (22), pp. 10510 - 10519 (2011)

Poma, A. B.; Delle Site, L.: Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling. Physical Review Letters 104 (25), 250201 (2010)

Poma, A. B.; Delle Site, L.: Separation of variables in molecular-dynamics simulations: A criterion to estimate the quality of the approximation. Physical Review E 78 (5), 056703 (2008)

Poma, A.: Coarse-graining and quantum-classical adaptive coupling in soft matter. Dissertation, Johannes Gutenberg-Universität, Mainz (2011)