Marilia T. C. Martins-Costa

Publication Activity (10 Years)

Years Active: 1996-2017
Publications (10 Years): 1

Top Topics

Molecular Dynamics Simulations

Parallel Computing

Top Venues

J. Comput. Chem.

Publications

Marilia T. C. Martins-Costa, Manuel F. Ruiz-López
Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling. J. Comput. Chem. 38 (10) (2017)
Margarita Isabel Bernal-Uruchurtu, Marilia T. C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López
Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case. J. Comput. Chem. 21 (7) (2000)
Iñaki Tuñón, Marilia T. C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López, Jean-Louis Rivail
A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water. J. Comput. Chem. 17 (1) (1996)