Efficient method to include nuclear quantum effects in the determination of phase boundaries

Thermodynamic integration from classical to quantum mechanics

(2011) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum path integral simulation of isotope effects in the melting temperature of ice Ih

(2010) R. Ramírez et al.   JOURNAL OF CHEMICAL PHYSICS

Graphite-diamond phase coexistence study employing a neural-network mapping of theab initiopotential energy surface

(2010) Rustam Z. Khaliullin et al.   PHYSICAL REVIEW B

Quantum Thermal Bath for Molecular Dynamics Simulation

(2009) Hichem Dammak et al.   PHYSICAL REVIEW LETTERS

Nuclear Quantum Effects in Solids Using a Colored-Noise Thermostat

(2009) Michele Ceriotti et al.   PHYSICAL REVIEW LETTERS

Path integral calculation of free energies: Quantum effects on the melting temperature of neon

(2008) R. Ramírez et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum path-integral study of the phase diagram and isotope effects of neon

(2008) R. Ramírez et al.   JOURNAL OF CHEMICAL PHYSICS