167 citations · 1.7k across the 63 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…
Quantum path-integral study of the phase diagram and isotope effects of neon
R. Ramirez, C. P. Herrero
The phase diagram of natural neon has been calculated for temperatures in the range 17-50 K and pressures between 0.01 and 2000 bar. The phase coexistence between solid, liquid, an…
Quantum path integral simulation of isotope effects in the melting temperature of ice Ih
R. Ramirez, C. P. Herrero
The isotope effect in the melting temperature of ice Ih has been studied by free energy calculations within the path integral formulation of statistical mechanics. Free energy diff…
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…