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Negative thermal expansion

Journal of physics. Condensed matter, 2005-02, Vol.17 (4), p.R217-R252

2005

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Evaluating the effects of hypoxic storage on platelet function and health using a novel storage system

Transfusion (Philadelphia, Pa.), 2024-04, Vol.64 (4), p.693-704

2024

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Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scattering

Journal of physics. Condensed matter, 2004-08, Vol.16 (32), p.5731-5743

2004

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Configurational lattice dynamics : The phase diagram of Rh-Pd

Physical review. B, Condensed matter and materials physics, 2005-04, Vol.71 (14), p.144202.1-144202.8, Article 144202

2005

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Glucose biosensors based on the immobilization of glucose oxidase and polytyramine on rodhinized glassy carbon and screen printed electrodes

Sensors and actuators. B, Chemical, 2006-05, Vol.115 (1), p.205-211

2006

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Ab Initio Calculation of Phase Diagrams of Oxides

The journal of physical chemistry. B, 2001-05, Vol.105 (17), p.3594-3599

2001

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Shell: a code for lattice dynamics and structure optimisation of ionic crystals

Computer physics communications, 1998-04, Vol.109 (2), p.135-143

1998

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Beyond the point defect limit: Simulation methods for solid solutions and highly disordered systems

Computational materials science, 2006-05, Vol.36 (1), p.42-48

2006

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LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides

Chemical physics, 2005-10, Vol.317 (2), p.119-129

2005

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Vibrational energies and thermal expansion of layered compounds: MgCl2

Chemical physics letters, 2001-12, Vol.350 (5-6), p.543-550

2001

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Semigrand-canonical ensemble simulations of the phase diagrams of alloys

Modelling and simulation in materials science and engineering, 2003-03, Vol.11 (2), p.115-126

2003

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Lithium oxide and superionic behaviour—A study using potentials from periodic ab initio calculations

The Journal of physics and chemistry of solids, 1998-03, Vol.59 (3), p.435-445

1998

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Structure and energetics of Cu-Au alloys

Modelling and simulation in materials science and engineering, 2000-05, Vol.8 (3), p.389-401

2000

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Ab initio calculation of phase diagrams of ceramics and minerals

Journal of material chemistry, 2001, Vol.11 (1), p.63-68

2001

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Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics

International journal of thermophysics, 2001-03, Vol.22 (2), p.535-546

2001

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Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics

Physical review. B, Condensed matter, 2001-03, Vol.63 (9), Article 094203

2001

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Quasiharmonic free energy and derivatives for many-body interactions: The embedded atom method

Physical review. B, Condensed matter and materials physics, 2004-01, Vol.69 (2), Article 024303

2004

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The interstitial electron model for metals-a critical appraisal

Journal of physics. Condensed matter, 1994-07, Vol.6 (29), p.5609-5620

1994

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Free-energy derivatives and structure optimization within quasiharmonic lattice dynamics

Physical review. B, Condensed matter, 1997-12, Vol.56 (22), p.14380-14390

1997

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Ionic solids at elevated temperatures and/or high pressures : lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (6), p.1099-1111

2000

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Simulation of metals and alloys using quasi-harmonic lattice dynamics

Computer physics communications, 1997-10, Vol.105 (2), p.159-168

1997

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Ionic solids at elevated temperatures and high pressures: MgF2

The Journal of chemical physics, 1997-09, Vol.107 (11), p.4337-4344

1997

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Lattice Dynamics, Thermal Expansion, and Third-Order Elastic Constants of Seminoble Metals

Physica status solidi. B. Basic research, 1993-09, Vol.179 (1), p.59-75

1993

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Free energy of formation of defects in polar solids

Faraday discussions, 1997, Vol.106, p.377-387

1997

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The stability of polymorphs of MgCl2 — an ab initio study

Chemical physics letters, 1997-10, Vol.278 (4-6), p.267-271

1997

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Negative thermal expansion

Evaluating the effects of hypoxic storage on platelet function and health using a novel storage system

Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scattering

Configurational lattice dynamics : The phase diagram of Rh-Pd

Glucose biosensors based on the immobilization of glucose oxidase and polytyramine on rodhinized glassy carbon and screen printed electrodes

Ab Initio Calculation of Phase Diagrams of Oxides

Shell: a code for lattice dynamics and structure optimisation of ionic crystals

Beyond the point defect limit: Simulation methods for solid solutions and highly disordered systems

LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides

Vibrational energies and thermal expansion of layered compounds: MgCl2

Semigrand-canonical ensemble simulations of the phase diagrams of alloys

Lithium oxide and superionic behaviour—A study using potentials from periodic ab initio calculations

Structure and energetics of Cu-Au alloys

Ab initio calculation of phase diagrams of ceramics and minerals

Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics

Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics

Quasiharmonic free energy and derivatives for many-body interactions: The embedded atom method

The interstitial electron model for metals-a critical appraisal

Free-energy derivatives and structure optimization within quasiharmonic lattice dynamics

Ionic solids at elevated temperatures and/or high pressures : lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies

Simulation of metals and alloys using quasi-harmonic lattice dynamics

Ionic solids at elevated temperatures and high pressures: MgF2

Lattice Dynamics, Thermal Expansion, and Third-Order Elastic Constants of Seminoble Metals

Free energy of formation of defects in polar solids

The stability of polymorphs of MgCl2 — an ab initio study

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