Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures

Melting of a polycrystalline material

(2013) Anatoly B. Belonoshko et al.   European Physical Journal-Special Topics

Direct first-principles chemical potential calculations of liquids

(2012) Qi-Jun Hong et al.   JOURNAL OF CHEMICAL PHYSICS

High-pressure melting curve of platinum fromab initioZ method

(2012) A. B. Belonoshko et al.   PHYSICAL REVIEW B

Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure

(2012) Hagai Eshet et al.   PHYSICAL REVIEW LETTERS

The kinetics of homogeneous melting beyond the limit of superheating

(2011) D. Alfè et al.   JOURNAL OF CHEMICAL PHYSICS

Entropy of Liquid Water from Ab Initio Molecular Dynamics

(2011) Cui Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Communication: Thermodynamics of water modeled using ab initio simulations

(2010) Valéry Weber et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics

(2010) Tod A. Pascal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MgO phase diagram from first principles in a wide pressure-temperature range

(2010) A. B. Belonoshko et al.   PHYSICAL REVIEW B

Force-matched embedded-atom method potential for niobium

(2010) Michael R. Fellinger et al.   PHYSICAL REVIEW B

Effects of Inner-Core 2pStates on Melting Curve and Structure of Dense Sodium at High Pressures

(2008) Aki Yamane et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu

(2008) M.I. Mendelev et al.   PHILOSOPHICAL MAGAZINE