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Seminars in IOpenShell - Spring 2022
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DateSpeakerTopicTitle
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4/13/2022SaikiranResearchCalculation of exchange interactions and spin-orbit couplings within the framework of density functional theory
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4/20/2022MaximilianTutorialPySurf
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4/27/2022SvenResearchCalculating g-tensors using an EOM sum-over-states approach
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5/4/2022Anna
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5/11/2022George
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5/18/2022RonitLit Rev
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Topic = Research, Paper, Tutorial
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Seminars in IOpenShell - Winter 2022
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DateSpeakerTopicTitle
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1/19/2022KaushikResearchCherry-picking resolvents for modeling multiphoton X-ray spectra within EOM-CC theory
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1/26/2022SouravResearchCore-ionization spectra of liquid water
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2/2/2022GoranResearchSpectral properties of Styril-based Biomarkers for targeting RNA
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2/9/2022PawelResearchComputational modeling of vibrationally resolved molecular spectra
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2/16/2022NayantharaResearch
New insights into the Auger spectrum of benzene and it's derivatives using equation of motion coupled-cluster wave functions
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2/23/2022MaristellaResearchInitialization and Addressability for Molecular Spin Qubits
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3/2/2022MadhubaniResearchComputational modelling of electron energy loss spectra
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Seminars in IOpenShell - 2021
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DateSpeakerTopicTitle
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9/15/2021No Seminar
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9/22/2021No Seminar
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9/29/2021MadhubaniResearchNew insights into electronic resonances of pyrrole derived from complex absorbing potential calculations
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10/6/2021No Seminar
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10/13/2021No Seminar
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10/20/2021No Seminar
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10/27/2021No Seminar
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11/3/2021RonitResearchCTTS spectra of aqueous thiocyanate: MD vs AIMD
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11/10/2021NayantharaResearch
Auger decay rates of benzene molecule from Feshbach fano approach using equation of motion coupled cluster wave functions
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11/17/2021YongbinTBD
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11/24/2021No Seminar - Thanksgiving holidays
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12/1/2021MaristellaResearchQuantum Chemical Design of Molecular Magnets
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