Concepedia

Insights from molecular dynamics on CO2 diffusion coefficient in saline water over a wide range of temperatures, pressures, and salinity: CO2 geological storage implications

Sina Omrani, Mehdi Ghasemi, Saeed Mahmoodpour, Ali Shafiei, Behzad Rostami

Journal of Molecular Liquids · 2021 · 61 citations · 72 references

DOI

Concepts

References

72

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 22.7K citations

, , +13

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 19.5K citations

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 16.6K citations

, , +15

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.1K citations

, , +18

GROMACS: A message-passing parallel molecular dynamics implementation

Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.2K citations

, , +4