ERD

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

Band gap closure, incommensurability and molecular dissociation of dense chlorine

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

Krypton and the Fundamental Flaw of the Lennard-Jones Potential

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

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

Quantitative Rotational to Librational Transition in Dense H2 and D2.

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

On the chain-melted phase of matter

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

The raman signal of a hindered rotor

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

Phase behavior of the quantum Lennard-Jones solid.

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Structure and Metallicity of Phase V of Hydrogen

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

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

Quantum and isotope effects in lithium metal

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

Detectability of core-level crossing and electronic topological transformations: The case of osmium

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

Raman signal from a hindered hydrogen rotor

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

Non-existence of the s-f transition in structures of solid gadolinium at pressure

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

High-Pressure Chemistry and the Mechanochemical Polymerization of [5]-Cyclo- p -phenylene

Project: HECATE

Updated at: 27-04-2024

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Project acronym HECATE

High pressure synthesis and stability of cobalt hydrides

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

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

Resources

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

Band gap closure, incommensurability and molecular dissociation of dense chlorine

Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides

Krypton and the Fundamental Flaw of the Lennard-Jones Potential

Direct Reaction between Copper and Nitrogen at High Pressures and Temperatures

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

Quantitative Rotational to Librational Transition in Dense H2 and D2.

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

On the chain-melted phase of matter

Structures of solid hydrogen at 300 K

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

The raman signal of a hindered rotor

Synthesis of Weaire-Phelan Barium Polyhydride.

Phase behavior of the quantum Lennard-Jones solid.

Structure and Metallicity of Phase V of Hydrogen

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

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

Quantum and isotope effects in lithium metal

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

Detectability of core-level crossing and electronic topological transformations: The case of osmium

Structural and electronic properties of the alkali metal incommensurate phases

Raman signal from a hindered hydrogen rotor

Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

Non-existence of the s-f transition in structures of solid gadolinium at pressure

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

High-Pressure Chemistry and the Mechanochemical Polymerization of [5]-Cyclo- p -phenylene

High pressure synthesis and stability of cobalt hydrides

Icosahedral ( H 2 ) 13 supermolecule

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