138 citations · 1.1k across the 40 of their papers we have counts for
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Anomalous Nuclear Quantum Effects in Ice
B. Pamuk, J. M. Soler, R. Ramirez +4
One striking anomaly of water ice has been largely neglected and never explained. Replacing hydrogen (H) by deuterium (H) causes ice to expand, whereas the "normal" isotope…
Molecular hydrogen in graphite: A path-integral simulation
Carlos P. Herrero, Rafael Ramirez
Molecular hydrogen in the bulk of graphite has been studied by path-integral molecular dynamics simulations. Finite-temperature properties of H_2 molecules adsorbed between graphit…
Diffusion of hydrogen in graphite: A molecular dynamics simulation
Carlos P. Herrero, Rafael Ramirez
Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were model…
Kinetic energy of protons in ice Ih and water: a path integral study
R. Ramirez, C. P. Herrero
The kinetic energy of H and O nuclei has been studied by path integral molecular dynamics simulations of ice Ih and water at ambient pressure. The simulations were performed by usi…
Isotope effects in ice Ih: A path-integral simulation
Carlos P. Herrero, Rafael Ramirez
Ice Ih has been studied by path-integral molecular dynamics simulations, using the effective q-TIP4P/F potential model for flexible water. This has allowed us to analyze finite-tem…