ERD

Structure and Metallicity of Phase V of Hydrogen

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Intensity of Raman modes as a temperature gauge in fluid hydrogen and deuterium

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

MIST: A simple and efficient molecular dynamics abstraction library for integrator development

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Influence of transition group elements on the stability of the δ - and η -phase in nickelbase alloys

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

hcp → ω phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Band gap closure, incommensurability and molecular dissociation of dense chlorine

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Phase behavior of the quantum Lennard-Jones solid.

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Synthesis of Weaire-Phelan Barium Polyhydride.

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Quantitative Rotational to Librational Transition in Dense H2 and D2.

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Structures of solid hydrogen at 300 K

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

On the chain-melted phase of matter

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Direct Reaction between Copper and Nitrogen at High Pressures and Temperatures

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Properties and phase diagram of (H 2 S)2 H 2

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Krypton and the Fundamental Flaw of the Lennard-Jones Potential

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

The raman signal of a hindered rotor

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Unusually complex phase of dense nitrogen at extreme conditions

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Reactivity of Hydrogen-Helium and Hydrogen-Nitrogen Mixtures at High Pressures

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Icosahedral ( H 2 ) 13 supermolecule

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Raman signal from a hindered hydrogen rotor

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Periodic Reporting for period 3 - HECATE (Hydrogen at Extreme Conditions: Applying Theory to Experiment for creation, ve...

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Structural and electronic properties of the alkali metal incommensurate phases

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Quantum and isotope effects in lithium metal

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Stacking Characteristics of Close Packed Materials

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Origin of the abnormal diffusion of transition metal atoms in rutile

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Enhancing the stability of the <i>ω</i> phase of zirconium alloys via local interlayer twists

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

The role of van der Waals and exchange interactions in high-pressure solid hydrogen

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Resources

Selected filters:

Structure and Metallicity of Phase V of Hydrogen

Intensity of Raman modes as a temperature gauge in fluid hydrogen and deuterium

MIST: A simple and efficient molecular dynamics abstraction library for integrator development

Influence of transition group elements on the stability of the δ - and η -phase in nickelbase alloys

hcp → ω phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study

Band gap closure, incommensurability and molecular dissociation of dense chlorine

Phase behavior of the quantum Lennard-Jones solid.

Synthesis of Weaire-Phelan Barium Polyhydride.

Quantitative Rotational to Librational Transition in Dense H2 and D2.

Structures of solid hydrogen at 300 K

Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen

On the chain-melted phase of matter

Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides

Direct Reaction between Copper and Nitrogen at High Pressures and Temperatures

Properties and phase diagram of (H 2 S)2 H 2

Krypton and the Fundamental Flaw of the Lennard-Jones Potential

The raman signal of a hindered rotor

No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium

Unusually complex phase of dense nitrogen at extreme conditions

Reactivity of Hydrogen-Helium and Hydrogen-Nitrogen Mixtures at High Pressures

Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

Icosahedral ( H 2 ) 13 supermolecule

Raman signal from a hindered hydrogen rotor

Periodic Reporting for period 3 - HECATE (Hydrogen at Extreme Conditions: Applying Theory to Experiment for creation, ve...

Structural and electronic properties of the alkali metal incommensurate phases

Quantum and isotope effects in lithium metal

Stacking Characteristics of Close Packed Materials

Origin of the abnormal diffusion of transition metal atoms in rutile

Enhancing the stability of the <i>ω</i> phase of zirconium alloys via local interlayer twists

The role of van der Waals and exchange interactions in high-pressure solid hydrogen