Graeme Ackland

Q: What Schools Are Affiliated With Graeme Ackland

Graeme Ackland is affiliated with the following schools: University of Oxford, University of Edinburgh, University of Pennsylvania

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Graeme Ackland

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Why Is Graeme Ackland Influential?

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According to Wikipedia, Graeme John Ackland FRSE is professor of computer simulation at the University of Edinburgh. His research concerns metallic hydrogen and other materials under high pressure. He has also applied simulations to non-physical problems including Neolithic migration and the spread of COVID-19.

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Graeme Ackland's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Development of new interatomic potentials appropriate for crystalline and liquid iron (2003) (1052)
Computer simulation of point defect properties in dilute Fe—Cu alloy using a many-body interatomic potential (1997) (596)
An improved N-body semi-empirical model for body-centred cubic transition metals (1987) (536)
Simple N-body potentials for the noble metals and nickel (1987) (507)
Development of an interatomic potential for phosphorus impurities in α-iron (2004) (476)
HIGH-TEMPERATURE ORDERED INTERMETALLIC ALLOYS III (1989) (394)
HIGH-TEMPERATURE ORDERED INTERMETALLIC ALLOYS III (1989) (394)
Applications of local crystal structure measures in experiment and simulation (2006) (354)
Structure and elasticity of MgO at high pressure (1997) (319)
Crystal structures and shape-memory behaviour of NiTi (2003) (299)
Controlling Radiation Damage (2010) (296)
Elastic instabilities in crystals from ab initio stress - strain relations (1997) (289)
Development of an interatomic potential for the simulation of phase transformations in zirconium (2007) (248)
Many-body potentials and atomic-scale relaxations in noble-metal alloys. (1990) (214)
High-pressure phases of group IV and III-V semiconductors (2001) (211)
Reversible pressure-induced structural transitions between metastable phases of silicon. (1994) (203)
Structure and properties of silicon XII: A complex tetrahedrally bonded phase. (1995) (195)
Evolving the selfish herd: emergence of distinct aggregating strategies in an individual-based model (2007) (154)
Theoretical study of titanium surfaces and defects with a new many-body potential (1992) (146)
Practical methods in ab initio lattice dynamics (1997) (145)
Semi-empirical calculation of solid surface tensions in body-centred cubic transition metals (1986) (144)
Ab initio studies of high-pressure structural transformations in silica (1997) (143)
Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures (1997) (142)
Free energy of crystalline solids: A lattice-switch Monte Carlo method (1997) (140)
Defect, surface and displacement-threshold properties of α-zirconium simulated with a many-body potential (1995) (129)
Point-defect and threshold displacement energies in Ni3Al I. Point-defect properties (1993) (127)
Metallic-covalent interatomic potential for carbon in iron (2008) (115)
MASS–RADIUS RELATIONSHIPS FOR EXOPLANETS (2010) (111)
Self-interstitials in V and Mo (2002) (108)
Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium. (2016) (106)
Atomistic simulation of materials : beyond pair potentials (1989) (105)
Atomistic simulation of materials : beyond pair potentials (1989) (105)
Effect of Fe segregation on the migration of a non-symmetric Σ5 tilt grain boundary in Al (2005) (103)
Cultural hitchhiking on the wave of advance of beneficial technologies (2007) (98)
Daisyworld: A review (2008) (90)
Crystal structures of dense lithium: a metal-semiconductor-metal transition. (2011) (88)
Validity of the second moment tight-binding model (1988) (85)
STRUCTURE AND PROPERTIES OF INTERFACES IN MATERIALS (1992) (83)
STRUCTURE AND PROPERTIES OF INTERFACES IN MATERIALS (1992) (83)
Polycrystalline iron under compression: Plasticity and phase transitions (2012) (82)
Interatomic forces and atomic structure of grain boundaries in copper-bismuth alloys. (1993) (78)
Molecular dynamics simulations of compression–tension asymmetry in plasticity of Fe nanopillars (2014) (76)
Potassium under pressure: a pseudobinary ionic compound. (2009) (74)
Structure of crystalline methanol at high pressure (1998) (72)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning (2018) (69)
Interatomic potential for vanadium suitable for radiation damage simulations (2003) (68)
Phase transitions of copper precipitates in Fe–Cu alloys (2001) (67)
High-pressure semiconductor-semimetal transition in TiS2 (1998) (67)
Ab initio calculations and interatomic potentials for iron and iron alloys : Achievements within the Perfect Project (2010) (65)
Lattice-switch monte carlo method (1999) (65)
First principles study of helium, carbon and nitrogen in austenite, dilute austenitic iron alloys and nickel (2013) (62)
Dynamic overshoot in -iron by atomistic simulations (1998) (59)
Embrittlement and the Bistable Crystal Structure of Zirconium Hydride (1998) (59)
Simulation of the interaction between Fe impurities and point defects in V (2007) (54)
Calculation of free energies from ab initio calculation (2002) (52)
Effect of school closures on mortality from coronavirus disease 2019: old and new predictions (2020) (51)
Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles (2011) (51)
Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials (2002) (50)
Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics (2013) (48)
Quantum and isotope effects in lithium metal (2017) (46)
Lattice-switch Monte Carlo method: application to soft potentials. (2002) (46)
Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. (1994) (46)
Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback. (2004) (46)
Simulation of martensitic microstructural evolution in zirconium (1998) (46)
Vibrational properties of the layered semiconductor germanium sulfide under hydrostatic pressure: Theory and experiment. (1996) (45)
Atomistic simulation of shear in a martensitic twinned microstructure (2000) (45)
Ab initio studies of structural instabilities in magnesium silicate perovskite (1995) (45)
Calculation of anomalous phonons and the hcp-bcc phase transition in zirconium (1999) (43)
Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles (1997) (41)
Molecular dynamics simulation study of microstructure evolution during cyclic martensitic transformations (2011) (41)
Ab initio calculations of the self-interstitial in silicon (1997) (41)
Two-band second moment model and an interatomic potential for caesium (2002) (40)
First-principles equations of state for simulations of shock waves in silicon (2001) (40)
Magnetically induced immiscibility in the Ising model of FeCr stainless steel. (2006) (39)
Origin of the complex crystal structures of elements at intermediate pressure (2004) (38)
Theoretical and computational study of high-pressure structures in barium (2000) (38)
Catastrophic desert formation in Daisyworld. (2003) (37)
Phonon localization by mass disorder in dense hydrogen-deuterium binary alloy. (2014) (37)
Two-band second moment model for transition metals and alloys (2005) (36)
Local size segregation in polydisperse hard sphere fluids (1999) (36)
High-pressure effects in the layered semiconductor germanium selenide. (1995) (35)
The MOLDY short-range molecular dynamics package (2011) (34)
Ab initio elasticity and lattice dynamics of AgGaSe2 (1997) (33)
Atomistic Modeling of Extended Defects in Metalic Alloys: Dislocations and Grain Boundaries in Ll2 Compounds (1990) (32)
Observation of the oP8 crystal structure in potassium at high pressure (2009) (32)
A comparison of the performance of commercially available chromogenic agars for the isolation and presumptive identification of organisms from urine (2003) (31)
Phase transitions in silicate perovskites from first principles (1998) (31)
When immiscible becomes miscible—Methane in water at high pressures (2017) (30)
Molecular dynamics simulations of the martensitic phase transition process (2008) (30)
Theoretical stability limit of diamond at ultrahigh pressure. (1995) (30)
Mesoscale kinetics produces martensitic microstructure (2009) (30)
Calculated energies and relaxations of the low-index planes of ordered Cu3Au (1992) (29)
Exotic structures of tetrahedral semiconductors (1995) (29)
First-principles thermodynamics of transition metals: W, NiAl, and PdTi (2003) (28)
First-principles study of the structural energetics of PdTi and PtTi (2002) (28)
Tetrahedral structures and phase transitions in III-V semiconductors. (1994) (28)
Relative strength of phase stabilizers in titanium alloys (2012) (27)
Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen (2019) (26)
COMPRESSION MECHANISMS IN QUASIMOLECULAR XI3 (X=AS, SB, BI) SOLIDS (1998) (25)
Mutation of albedo and growth response produces oscillations in a spatial Daisyworld. (2005) (25)
Semiempirical model of covalent bonding in silicon. (1989) (24)
The role of van der Waals and exchange interactions in high-pressure solid hydrogen. (2017) (24)
Lattice dynamics of dense lithium. (2012) (24)
ORDERED INTERMETALLICS - PHYSICAL METALLURGY AND MECHANICAL BEHAVIOUR (1992) (24)
ORDERED INTERMETALLICS - PHYSICAL METALLURGY AND MECHANICAL BEHAVIOUR (1992) (24)
STABILITY AND ELECTRONIC STRUCTURE OF THE CINNABAR PHASE IN GAAS (1998) (23)
Properties of liquid crystal molecules from first principles computer simulation (1997) (23)
Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB (1998) (22)
Strongly Non-Arrhenius Self-Interstitial Diffusion in Vanadium (2004) (22)
ALLOY PHASE STABILITY AND DESIGN (1991) (21)
Pressure-induced polymorphism in CuCl: An ab initio study. (1995) (21)
Ab initio simulations in liquid caesium at high pressure and temperature (2006) (21)
ALLOY PHASE STABILITY AND DESIGN (1991) (21)
Shear melting and high temperature embrittlement: theory and application to machining titanium. (2015) (20)
Transition metal solute interactions with point defects in austenitic iron from first principles (2014) (20)
High temperature oxidation resistance in titanium–niobium alloys (2015) (20)
Performance of an ab initio equation of state for magnesium oxide (2004) (19)
Origin of incommensurate modulations in the high-pressure phosphorus IV phase (2008) (19)
A theoretical study of selenium I under high pressure (1993) (19)
Vibrational and elastic effects of point defects in silicon. (1993) (18)
MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS (1998) (18)
Ordered sigma-type phase in the Ising model of Fe-Cr stainless steel (2009) (17)
Property trends in simple metals: An empirical potential approach (2016) (17)
Effect of Ordering Energy on Grain Boundary Structure in L1 2 Alloys (1988) (17)
Comparison of bonding in amorphous silicon and carbon (1997) (17)
MANY-BODY POTENTIALS FOR CU-TI INTERMETALLIC ALLOYS AND A MOLECULAR-DYNAMICS STUDY OF VITRIFICATION AND AMORPHIZATION (1993) (17)
On the chain-melted phase of matter (2019) (16)
Maximization principles and daisyworld. (2003) (16)
Simple thermodynamic model for the hydrogen phase diagram (2017) (15)
Structural and electronic properties of the alkali metal incommensurate phases (2018) (15)
Formation of H 2 -rich iodine-hydrogen compounds at high pressure (2018) (15)
Theoretical study of the effect of point defects on the elastic constants of copper (1988) (14)
Atomic-Scale Modeling of the Dynamics of Titanium Oxidation (2012) (14)
Computational analysis of the high-pressure structures of InSb (2000) (14)
Europium-IV: an incommensurately modulated crystal structure in the lanthanides. (2012) (14)
hcp → ω phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study (2019) (13)
Theory of High Pressure Phases of Group-IV and III–V Semiconductors (2001) (13)
Validating molecular dynamics with direct imaging of radiation damage debris (2012) (12)
Aluminium: Simple metal no more. (2010) (12)
Relating melting trends and elasticity in simple metals: an empirical potential approach (2016) (12)
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen. (2016) (12)
SOLID STATE PHYSICS, VOL 41, 1998 (1999) (12)
Free electron to electride transition in dense liquid potassium (2021) (12)
Interpretation of cluster structures in terms of covalent bonding. (1991) (12)
Molecular Dynamics and OKMC Study of Radiation Induced Motion of Voids and He Bubbles in BCC Iron (2012) (11)
Embrittlement and the bistable crystal structure of zirconium hydride - Ackland replies (1998) (11)
High temperature Raman analysis of hydrogen phase IV from molecular dynamics (2013) (11)
Structures of solid hydrogen at 300 K (2019) (11)
TRANSFERABILITY OF FIRST PRINCIPLES DERIVED TORSIONAL POTENTIALS FOR MESOGENIC MOLECULES AND FRAGMENTS (1998) (11)
Nature and stability of ice X (2009) (11)
Abrupt increase in the UK coronavirus death-case ratio in December 2020 (2021) (11)
Stacking Characteristics of Close Packed Materials. (2017) (10)
The phonon spectrum of phase-I ammonia: reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations. (2008) (10)
1.10 – Interatomic Potential Development (2012) (10)
How efficiently Do three pointlike particles sample phase space? (2000) (10)
Quantitative Rotational to Librational Transition in Dense H2 and D2. (2020) (10)
Experimental and theoretical study of Ti-6Al-4V to 220 GPa (2012) (10)
Thermodynamically complete equations of state for nickel-titanium alloy (2005) (10)
Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997) (1997) (10)
Interaction between Metallic p Orbitals and the π Orbitals of Organic Molecules: The Binding between Ethylene and Aluminum (2001) (10)
A first principles and mean field investigation of the conformational properties of 5CB (1999) (10)
Synthesis of Weaire-Phelan Barium Polyhydride. (2021) (9)
Total energy calculation for high pressure selenium: the origin of incommensurate modulations in Se IV and the instability of proposed Se II (2005) (9)
Lattice-switch Monte Carlo simulation for binary hard-sphere crystals. (2007) (9)
Fitting the reproduction number from UK coronavirus case data and why it is close to 1 (2021) (9)
Twinning deformation in martensite microstructure (1999) (9)
Understanding plantation transformation using a size-structured spatial population model (2011) (8)
Nucleation mechanism for hcp→bcc phase transformation in shock-compressed Zr (2020) (8)
Phase-transition-induced defect formation in III-V semiconductors. (1993) (8)
Income and poverty in a developing economy (2009) (8)
Quadrupole arrangements and the ground state of solid hydrogen (2019) (8)
Equipartition and ergodicity in closed one-dimensional systems of hard spheres with different masses. (1993) (8)
Simulating Raman Spectra using molecular dynamics, and identification of high-pressure phases III and IV in hydrogen (2013) (8)
Temperature dependence in interatomic potentials and an improved potential for Ti (2012) (7)
Effects of local interaction and dispersal on the dynamics of size-structured populations (2010) (7)
Phase diagram of the frustrated FCC antiferromagnet from effective-field theory (2020) (7)
Role of Trust in a Self-Organizing Pharmaceutical Supply Chain Model with Variable Good Quality and Imperfect Information (2019) (7)
MIST: A simple and efficient molecular dynamics abstraction library for integrator development (2018) (7)
Erratum: Tetrahedral structures and phase transitions in III-V semiconductors (1995) (7)
Pseudopotential errors in titanium (2012) (7)
Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential (2019) (7)
Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen (2015) (7)
Rescaled potentials for transition metal solutes in α-iron (2009) (7)
A theoretical study of pressure effects on selenium-I (1995) (6)
Constrained dynamics and extraction of normal modes from ab initio molecular dynamics: application to ammonia. (2006) (6)
Equation of state of solid nickel aluminide (2007) (6)
Short-time reorientational processes in molecular fluids (2000) (6)
Strategy bifurcation and spatial inhomogeneity in a simple model of competing sellers (2007) (6)
The Structure of Eu-III (2012) (6)
monteswitch : A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo (2016) (6)
Raman signal from a hindered hydrogen rotor (2020) (6)
Lattice-switch Monte Carlo: the fcc—bcc problem (2014) (5)
Simulation of martensitic microstructure (2005) (5)
Pressure-induced symmetry breaking in tetrahedral networks. (1994) (5)
Composition Gradient mediated Semiconductor-metal Transition in Ternary Transition-metal-dichalcogenide Bilayers. (2020) (5)
VIBRATIONAL ENTROPY OF ORDERED AND DISORDERED ALLOYS (1994) (5)
Pack formation in cycling and orienteering (2001) (5)
Emergent patterns in space and time from daisyworld: a simple evolving coupled biosphere–climate model (2010) (5)
Bearing down on hydrogen (2015) (5)
Origin of the abnormal diffusion of transition metal atoms in rutile (2017) (5)
VIBRATIONAL ENTROPY OF ORDERED AND DISORDERED ALLOYS (1994) (5)
Structure of an amphiphilic lattice gas, and its relationship to microclustering of methanol in water. (2006) (5)
Microscopic model of diffusion limited aggregation and electrodeposition in the presence of leveling molecules. (2005) (5)
LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS (1998) (4)
Soft-mode phase transitions from first principles (1997) (4)
Twenty five years of Finnis–Sinclair potentials (2009) (4)
Efficacious calculation of Raman spectra in high pressure hydrogen (2014) (4)
The long term predictions from Imperial College CovidSim Report 9 (2020) (4)
Interatomic Potential Development (2020) (4)
Charge density wave in hydrogen at high pressure (2015) (4)
Evolution of case fatality rates in the second wave of coronavirus in England: effects of false positives, a Variant of Concern and vaccination. (2021) (4)
On the stability of random cubic alloys in the framework of pair potentials (1990) (4)
Counterintuitive effects of isotopic doping on the phase diagram of H2–HD–D2 molecular alloy (2020) (4)
Phase transitions in europium at high pressures (2013) (4)
Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2 (2005) (4)
Theoretical study of high-density phases of covalent semiconductors. II. Empirical treatment. (1994) (4)
Frenkel Line in Nitrogen Terminates at the Triple Point. (2021) (4)
Trapping of interstitial defects: filling the gap between the experimental measurements and DFT calculations (2013) (4)
Understanding high pressure molecular hydrogen with a hierarchical machine-learned potential (2020) (4)
Two disordered phases of the beta-tin structure in binary semiconductors. (2001) (4)
Boundaries between Ancient Cultures: Origins and Persistence (2012) (4)
Twinning hierarchy, shape memory, and superelasticity demonstrated by molecular dynamics (2011) (4)
Molecular dynamics and object kinetic Monte Carlo study of radiation-induced motion of voids and He bubbles in bcc iron (2013) (3)
Influence of transition group elements on the stability of the δ- and η-phase in nickelbase alloys (2017) (3)
Boom and bust in continuous time evolving economic model (2008) (3)
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water. (2022) (3)
Rapid Equilibration by algorithmic quenching the ringing mode in molecular dynamics (2016) (3)
Theory of high pressure hydrogen, made simple (2015) (3)
Atomic Structure and Chemical Composition of Grain Boundaries in L1 2 Intermetallic Compounds: Relation to Intergranular Brittleness (1992) (3)
DEVELOPMENT OF OXIDATION RESISTANT TITANIUM ALLOYS BY NIOBIUM ADDITION (2014) (3)
Dense tetrahedral structures of compound semiconductors (1995) (3)
High Pressure Instrumentation: Low and Negative Pressures (2002) (3)
Self assembly of a model multicellular organism resembling the Dictyostelium slime molds (2007) (3)
Hydrogenation Induced Carrier Mobility Polarity Reversal in Monolayer AlN (2017) (3)
An Experimental and Theoretical Multi-Mbar Study of Ti-6Al-4V (2012) (3)
Load-Induced Martensitic Transformations in Pseudo-Elastic Lennard-Jones Crystals (2008) (3)
Very low energy surface of silicon. (1994) (3)
The effect of large solid angles of collection on quantitative X‐ray microanalysis in the AEM (1999) (3)
Two-state model for critical points and the negative slope of the melting curve (2021) (2)
Binding of an Oxide Layer to a Metal: The Case of Ti(10(1)over-bar0)/TiO2(100) (2012) (2)
Structure of Grain Boundaries in L1 2 Alloys at Finite Temperatures: Effects of Deviations from Stoichiometry (1991) (2)
Phase behavior of the quantum Lennard-Jones solid. (2020) (2)
Observation of Fundamental Mechanisms in Compression-Induced Phase Transformations Using Ultrafast X-ray Diffraction (2021) (2)
Edinburgh Explorer Transition metal solute interactions with point defects in fcc iron from first principles (2015) (2)
Devil's staircase in kinetically limited growth. (2002) (2)
Quantum mechanical predictions of nonscalar equations of state and nonmonotonic elastic stress-strain relations (2003) (2)
Calculating the Raman signal beyond perturbation theory for a diatomic molecular crystal (2022) (2)
Krypton and the Fundamental Flaw of the Lennard-Jones Potential (2022) (2)
Equation of state and strength of diamond in high-pressure ramp loading (2020) (2)
The Royal Society RAMP modelling initiative (2022) (2)
Application of Many-Body Potentials to Noble Metal Alloys (1989) (2)
MD Simulations of Compression of Nanoscale Iron Pillars (2014) (2)
TMS 2010 139TH ANNUAL MEETING & EXHIBITION - SUPPLEMENTAL PROCEEDINGS, VOL 2: MATERIALS CHARACTERIZATION, COMPUTATION AND MODELING AND ENERGY (2010) (2)
Martensitic Transformations in 2D Lennard‐Jones Crystals (2009) (2)
Evolution of Microstructure in the BCC-HCP Martensitic Phase Transition in Zirconium (1997) (2)
Interatomic forces for transition metals including magnetism (2009) (2)
Atomistic modelling of the Shape Memory Effect (2005) (2)
Equations of state for ruthenium and rhodium (2019) (1)
No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium (2017) (1)
Evaluation of Free Energy Differences Between Crystalline Phases Using the Lattice-Switch Monte Carlo Method (1997) (1)
Theory of high pressure hydrogen, made simple / AIRAPT 2015 data (2016) (1)
Dynamics of bond-diluted Ising magnets (1992) (1)
Elastic properties as a pointer to phase transitions (2000) (1)
Stability of Metallic Hydrogen at Ambient Conditions (2017) (1)
CONDENSED MATTER PHYSICS | RESEARCH ARTICLE Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen 1 (2015) (1)
SHOCK COMPRESSION OF CONDENSED MATTER - 2003, PTS 1 AND 2, PROCEEDINGS (2004) (1)
Cultural Collapse and System Survival Due to Environmental Modification (2014) (1)
Infrared Peak-Splitting without a Phase Transition in Hydrogen-Deuterium Mixtures at High Pressures (2016) (1)
Probing atomic environments in alloys by electron spectroscopy (2014) (1)
Paramagnetic and glass transitions in sudoku. (2012) (1)
Conformation energy surface for liquid crystal molecules from first principles : Application to 5CB (1997) (1)
Breaking the H2 chemical bond in a crystalline environment (2023) (1)
The effect of pack formation at the 2005 world orienteering championships (2005) (1)
Observation of a metastable intermediate during solid-solid phase transformation in response to rapid compression. (2018) (1)
The role of trust in a self-organising pharmaceutical supply chain model with variable drug quality and imperfect information. (2019) (1)
Classical and quantum simulation of the surface properties of α-Al2O3. Discussion (1992) (1)
Ab initio molecular dynamics of liquid carbon disulphide (2001) (1)
Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides (2022) (1)
Technical challenges of modelling real-life epidemics and examples of overcoming these (2022) (1)
Simulation of microscopic strain in semiconducting heterojunctions (1999) (1)
Stability of CrSi2 grown from the melt (2005) (1)
Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen. (2020) (0)
New Vistas for First-Principles Simulation (1999) (0)
First-principles modelling of Earth and planetary materials at high pressures and temperatures (2016) (0)
Localization effects on the vibron shifts in helium-hydrogen mixtures (2020) (0)
HOW DOES NIOBIUM IMPROVE THE OXIDATION RESISTANCE OF COMMERCIALLY PURE TITANIUM (2015) (0)
Metastable structures of tetrahedral semiconductors (2008) (0)
Hydrogenation induced carrier mobility polarity reversal in single layer AlN (2017) (0)
ALLOY MODELING & DESIGN (1994) (0)
Analytic multiphase equation of state for MgO (2013) (0)
Pressure-induced thermodynamic properties of atom-vacancy solid solution. (1996) (0)
Thank you to eBioMedicine’s clinical and statistical peer reviewers in 2021 (2022) (0)
Understanding high pressure hydrogen with a hierarchical machine-learned potential (2020) (0)
Molecular Properties from First Principles (1999) (0)
Discussion Group 'J': How to ensure the economic utilisation of plant (1951) (0)
How Do Martensitic Twin Boundaries Move (2002) (0)
High Strain Rate Deformation of BCC Materials: Molecular Dynamics Simulations (2012) (0)
Dynamical effects in solid hydrogen and hydrogen-deuterium mixtures at elevated pressures. (2014) (0)
Chain melting simulations in dense potassium from a machine-learned atomic potential (2019) (0)
Electronic structure calculations of liquid crystal molecules: application to chiral solutes (1998) (0)
Thermodynamic Properties From Static-Lattice Calculations with Soft Modes (2002) (0)
Image Plate Studies of Tetrahedral Semiconductors Under Pressure: The Implication for Experiment and Theory (1993) (0)
High-Pressure Simulations of Atom-Vacancy Solid Solution (1997) (0)
First Principles Calculations of Defects in Unstable Crystals: Austenitic Iron (2011) (0)
Mechanism for radiation damage resistance in yttrium oxide dispersion strengthened steels (2014) (0)
ALLOY MODELING & DESIGN (1994) (0)
Structural properties and phase stability of Ti alloys containing V and Cr by first-principles calculation (2012) (0)
The High-Pressure Search for Metallic Hydrogen (2022) (0)
The Observed Vibron Shift in Helium-Hydrogen Mixtures are due to Quantum Nuclear and Localisation Effects, not bonding (2019) (0)
Very high temperature quantum effects in liquid hydrogen isotopes (2020) (0)
SMASIS2008: PROCEEDINGS OF THE ASME CONFERENCE ON SMART MATERIALS, ADAPTIVE STRUCTURES AND INTELLIGENT SYSTEMS - 2008, VOL 1 (2009) (0)
S ep 2 01 6 monteswitch : A package for evaluating solid – solid free energy di ff erences via lattice-switch (2016) (0)
epl draft Income and Poverty in a Developing Economy (2010) (0)
Alkali metal incommensurate phases under pressure: phase trasisitions, stability and electronic structure (2018) (0)
Alkali Metals and the Chain-Melted Phase of Matter (2019) (0)
Mechanical properties: Overcoming old barriers. (2012) (0)
Lecture 14 (2018) (0)
Structural phase transitions in calcium: A first principle calculation (1999) (0)
Edinburgh Research Explorer Boundaries between Ancient Cultures (2012) (0)
Compression mechanisms in quasimolecular X I 3 „ X 5 As , Sb , Bi ... solids (1998) (0)
Anomalous thermophysical properties and electride transition in fcc potassium (2021) (0)
High pressure hydrogen and the Potts model on a triangular lattice (2021) (0)
Detectability of core-level crossing and electronic topological transformations: The case of osmium (2022) (0)
Understanding forest dynamics and plantation transformation using a simple size-structured model (2009) (0)
Explorer Icosahedral ( H 2 ) 13 supermolecule (2018) (0)
2 1 O ct 1 99 9 Lattice-switch (1999) (0)
High-pressure phases of group IV and III–V semiconductors (2019) (0)
Orientation dependence of plasticity and transformation kinetics in Zirconium at higher shock pressure (2019) (0)
Edinburgh Explorer Efficacious calculation of Raman spectra in high pressure hydrogen (2017) (0)
Edinburgh Research Explorer The Structure of Eu-III (2017) (0)
Ab initio model of porous periclase (2004) (0)
2018 ) Icosahedral ( H 2 ) 13 supermolecule (2018) (0)
Influence of transition group elements on the stability of the delta- and eta-phase in nickelbase alloys (2017) (0)
From Atoms to Colloids: Does the Frenkel Line Exist in Discontinuous Potentials? (2023) (0)
Classical and Quantum Simulation of the Surface Properties of Formula-AlFormulaOFormula [and Discussion] (1992) (0)
Molecular dynamics for Raman modes of high pressure phases of hydrogen (2013) (0)
Pressure-Induced Synthesis and Properties of an H2S-H2Se-H2 Molecular Alloy. (2021) (0)
Phase-Stabilizers in Titanium Alloys (2012) (0)
Amorphous mediated commensurate-incommensurate phase transition in dense potassium (2019) (0)
Edinburgh Raman signal from a hindered hydrogen rotor (2020) (0)
A Pair Potential Model of Covalent Bonding in Silicon (1990) (0)
organisms from urine the isolation and presumptive identification of commercially available chromogenic agars for A comparison of the performance of and (2003) (0)
1 O ct 1 99 9 Lattice-switch Monte (2022) (0)
Relating DFT MD simulations of high-pressure hydrogen to experiment. (2018) (0)
Compression and information entropy of binary strings from the collision history of three hard balls (2023) (0)
Competition between superconductivity and molecularization in quantum nuclear behavior of Lanthanum Hydride (2023) (0)
Covid-19: Modelling the pandemic (2020) (0)
Fermi surface effects in solid-solid phase transitions in simple metals under pressure (2005) (0)
Simulation of phase transitions during shock waves in zirconium. (2018) (0)
A dynamic mechanism for retrograde solid solubility (1991) (0)
DR AF T On the Chain-Melted Phase of Matter (2019) (0)
Proceedings of Metallurgical Society of CIM ( MetSoc ) 2014 (2014) (0)
G8-Exascale Project Nu-FuSE to tackle Reactor Design Challenges (2012) (0)
An Experimental and Theoretical Study of Ti-6Al-4V to Multi-mbar Pressures (2012) (0)
On the Diffusion of Sticky Particles in 1D (2018) (0)
Nonexistence of the s−f volume-collapse transition in solid gadolinium at pressure (2021) (0)
On the existence of an intermediate phase in the antiferromagnetic Ising model on the face-centered cubic lattice (2023) (0)
Non-existence of the s-f transition in structures of solid gadolinium at pressure (2020) (0)
Edinburgh Research Explorer Localisation effects on the Vibron Shifts in Helium-Hydrogen Mixtures (2020) (0)
Ti-2015 conference procedings (2015) (0)

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