Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn

Ab initio study of several static and dynamic properties of bulk liquid Ni near melting

(2017) B. G. del Rio et al.   JOURNAL OF CHEMICAL PHYSICS

Pressure-induced changes in structural and dynamic properties of liquid Fe close to the melting line. Anab initiostudy

(2016) Miriam Marqués et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

(2015) Mohan Chen et al.   COMPUTER PHYSICS COMMUNICATIONS

Pressure-induced emergence of unusually high-frequency transverse excitations in a liquid alkali metal: Evidence of two types of collective excitations contributing to the transverse dynamics at high pressures

(2015) Taras Bryk et al.   JOURNAL OF CHEMICAL PHYSICS

Transverse excitations in liquid Fe, Cu and Zn

(2015) S Hosokawa et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Orbital freeab initiosimulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties

(2014) Beatriz G del Rio et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transverse excitations in liquid Sn

(2013) S Hosokawa et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The melting point of lithium: an orbital-free first-principles molecular dynamics study

(2013) Mohan Chen et al.   MOLECULAR PHYSICS

Modified mode-coupling theory for the collective dynamics of simple liquids

(2011) B Schmid et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

(2010) Linda Hung et al.   COMPUTER PHYSICS COMMUNICATIONS

Collective excitations in supercritical fluids: Analytical and molecular dynamics study of “positive” and “negative” dispersion

(2010) Taras Bryk et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initiomolecular dynamics study of the static, dynamic, and electronic properties of liquid Bi near melting using real-space pseudopotentials

(2010) J. Souto et al.   PHYSICAL REVIEW B

Structural and dynamical properties of liquid Mg. An orbital-free molecular dynamics study

(2009) S Şengül et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transverse Acoustic Excitations in Liquid Ga

(2009) S. Hosokawa et al.   PHYSICAL REVIEW LETTERS

Introducing PROFESS: A new program for orbital-free density functional theory calculations

(2008) Gregory S. Ho et al.   COMPUTER PHYSICS COMMUNICATIONS

Structural, dynamic, and electronic properties of liquid tin: An ab initio molecular dynamics study

(2008) L. Calderín et al.   JOURNAL OF CHEMICAL PHYSICS

Transferable local pseudopotentials for magnesium, aluminum and silicon

(2008) Chen Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS