activity
20022020
most citedAnomalous Nuclear Quantum Effects in Ice

138 citations · 194 across the 5 of their papers we have counts for

collaborators

5 papers

physics.ins-det2020★ 16 cited

LBECA: A Low Background Electron Counting Apparatus for Sub-GeV Dark Matter Detection

A. Bernstein, M. Clark, R. Essig +12

Two-phase noble liquid detectors, with large target masses and effective background reduction, are currently leading the dark matter direct detection for WIMP masses above a few Ge…

cond-mat.mtrl-sci2013★ 3 cited

Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy (GaN)(ZnO)

Jian Liu, Luana S. Pedroza, Carissa Misch +2

We present total energy and force calculations on the (GaN)(ZnO) alloy. Site-occupancy configurations are generated by Monte Carlo (MC) simulations, based on a cluste…

cond-mat.mtrl-sci2011★ 138 cited

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…

physics.chem-ph2011★ 16 cited

Ab initio study of charge doping effect on 1D polymerization of C60

Roberta Poloni, Alfonso San Miguel, Maria Victoria Fernandez-Serra

We study the interplay between charge doping and intermolecular distance in the polymerization of C60 fullerene chains by means of density functional theory (DFT)-based first princ…

cond-mat.mtrl-sci2002★ 21 cited

Model Hessian for accelerating first-principles structure optimizations

M. V. Fernandez-Serra, Emilio Artacho, Jose. M. Soler

We present two methods to accelerate first-principles structural relaxations, both based on the dynamical matrix obtained from a universal model of springs for bond stretching and…