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turboMagnon – A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent de...

Project: MaX

Updated at: 28-04-2024

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Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedd...

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Automated high-throughput Wannierisation

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

S iesta : Recent developments and applications

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Fast hybrid density-functional computations using plane-wave basis sets

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

The CECAM electronic structure library and the modular software development paradigm

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Evidence for equilibrium exciton condensation in monolayer WTe2

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Magnetic properties of {M$_4$} coordination clusters with different magnetic cores (M=Co, Mn)

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Intrinsic edge excitons in two-dimensional MoS 2

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Emergent dual topology in the three-dimensional Kane-Mele Pt 2 HgSe 3

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Coherence and de-coherence in the Time-Resolved ARPES of realistic materials: An ab-initio perspective

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Exciton-phonon interaction calls for a revision of the “exciton” concept

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Coexistence of Elastic Modulations in the Charge Density Wave State of 2 H -NbSe 2

Project: MaX

Updated at: 28-04-2024

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Electric dipole moment as descriptor for interfacial Dzyaloshinskii-Moriya interaction

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Guidelines for Selecting Interlayer Spacers in Synthetic 2D-Based Antiferromagnets from First-Principles Simulations

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Software for quantum simulations of tomorrow

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

A monolayer transition-metal dichalcogenide as a topological excitonic insulator

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a fir...

Project: MaX

Updated at: 28-04-2024

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Electronic and optical properties of doped TiO 2 by many-body perturbation theory

Project: MaX

Updated at: 28-04-2024

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Reproducibility in G 0 W 0

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Equipartition of Energy Defines the Size–Thickness Relationship in Liquid-Exfoliated Nanosheets

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

Spin States Protected from Intrinsic Electron–Phonon Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe 2

Project: MaX

Updated at: 28-04-2024

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Q uantum ESPRESSO toward the exascale

Project: MaX

Updated at: 28-04-2024

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Valley-Engineering Mobilities in Two-Dimensional Materials

Project: MaX

Updated at: 28-04-2024

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Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

Project: MaX

Updated at: 28-04-2024

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Multiple exciton generation in isolated and interacting silicon nanocrystals

Project: MaX

Updated at: 28-04-2024

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Project acronym MaX

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Selected filters:

turboMagnon – A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent de...

Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedd...

Automated high-throughput Wannierisation

S iesta : Recent developments and applications

Fast hybrid density-functional computations using plane-wave basis sets

The CECAM electronic structure library and the modular software development paradigm

Evidence for equilibrium exciton condensation in monolayer WTe2

Magnetic properties of {M$_4$} coordination clusters with different magnetic cores (M=Co, Mn)

Intrinsic edge excitons in two-dimensional MoS 2

Emergent dual topology in the three-dimensional Kane-Mele Pt 2 HgSe 3

Coherence and de-coherence in the Time-Resolved ARPES of realistic materials: An ab-initio perspective

Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function

Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series

Exciton-phonon interaction calls for a revision of the “exciton” concept

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Coexistence of Elastic Modulations in the Charge Density Wave State of 2 H -NbSe 2

Electric dipole moment as descriptor for interfacial Dzyaloshinskii-Moriya interaction

Guidelines for Selecting Interlayer Spacers in Synthetic 2D-Based Antiferromagnets from First-Principles Simulations

Software for quantum simulations of tomorrow

A monolayer transition-metal dichalcogenide as a topological excitonic insulator

Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a fir...

Electronic and optical properties of doped TiO 2 by many-body perturbation theory

Reproducibility in G 0 W 0

Equipartition of Energy Defines the Size–Thickness Relationship in Liquid-Exfoliated Nanosheets

Spin States Protected from Intrinsic Electron–Phonon Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe 2

Q uantum ESPRESSO toward the exascale

Valley-Engineering Mobilities in Two-Dimensional Materials

Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

Multiple exciton generation in isolated and interacting silicon nanocrystals