ERD

Secondments completed

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Molecules with MChD response

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

A biorthonormal formalism for nonadiabatic coupled cluster dynamics

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

A 4,4'-bis(2-benzoxazolyl)stilbene luminescent probe: assessment of aggregate formation through photophysics experiments...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Capturing Correlation Effects on Photoionization Dynamics

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals.

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between el...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

A Fermi smearing variant of the Tamm–Dancoff approximation for nonadiabatic dynamics involving S 1 –S 0 transitions:...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Progress Report

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations.

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Kohn–Sham matrix & CASSCF on GPUs

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

New and Efficient Implementation of CC3.

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Setup COSINE-wiki

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Outreach – Public/private

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Binding of SARS-CoV-2 to Cell Receptors: A Tale of Molecular Evolution

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Non-radiative decay channels

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Fluorescence probes

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Progress report by ESRs

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous so...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Periodic Reporting for period 2 - COSINE (Training network for COmputational Spectroscopy In Natural sciences and Engine...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polariz...

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Recruitment of administrative assistant

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

Scientific board meetings

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

PhD theses

Project: COSINE

Updated at: 28-04-2024

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Project acronym COSINE

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Secondments completed

Molecules with MChD response

A biorthonormal formalism for nonadiabatic coupled cluster dynamics

A 4,4'-bis(2-benzoxazolyl)stilbene luminescent probe: assessment of aggregate formation through photophysics experiments...

Capturing Correlation Effects on Photoionization Dynamics

Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals.

Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between el...

A Fermi smearing variant of the Tamm–Dancoff approximation for nonadiabatic dynamics involving S 1 –S 0 transitions:...

Progress Report

Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations.

Kohn–Sham matrix & CASSCF on GPUs

New and Efficient Implementation of CC3.

Setup COSINE-wiki

Outreach – Public/private

Binding of SARS-CoV-2 to Cell Receptors: A Tale of Molecular Evolution

XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions

Non-radiative decay channels

Fluorescence probes

Progress report by ESRs

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous so...

Periodic Reporting for period 2 - COSINE (Training network for COmputational Spectroscopy In Natural sciences and Engine...

Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polariz...

Recruitment of administrative assistant

Scientific board meetings

PhD theses