Ioanna Pallikara (@IPallikara) profile picture

Ioanna Pallikara

@IPallikara
Joined September 2021
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Check out this #OpenAccess article recently published in JPCM! Read the full article, 'Towards the high-throughput prediction of finite-temperature properties using the quasi-harmonic approximation' here 📎: iopscience.iop.org/article/1… @IPallikara @JM_Skelton @IOPmaterials
Image from Journal of Physics: Condensed Matter (@JPhysCM)
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Lucy Whalley (@lucydotwhalley) profile picture
Lucy Whalley@lucydotwhalley15 Jun 2022
Imaginary phonon modes have a bad reputation (your structure is all wrong!) but they *can* be useful - in this review we explain why: iopscience.iop.org/article/1…. With @IPallikara @prakayastha314 @JM_Skelton
The physical significance of imaginary phonon modes in crystals

The physical significance of imaginary phonon modes in crystals

The physical significance of imaginary phonon modes in crystals, Pallikara, Ioanna, Kayastha, Prakriti, Skelton, Jonathan M, Whalley, Lucy D

iopscience.iop.org
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Jonathan Skelton (@JM_Skelton) profile picture
Jonathan Skelton@JM_Skelton8 Sep 2021
Check out our @PCCP HOT article - free to read now: xlink.rsc.org/?doi=10.1039/D… A "tour de force" on the quasi-harmonic approximation from @IPallikara.
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