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Kade Head-Marsden

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Articles 13
Citations 32
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Recent Articles
1.
Delgado-Granados L, Krogmeier T, Sager-Smith L, Avdic I, Hu Z, Sajjan M, et al.
Chem Rev . 2025 Feb; 125(4):1823-1839. PMID: 39903697
Accurate models for open quantum systems─quantum states that have nontrivial interactions with their environment─may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the...
2.
Krogmeier T, Schlimgen A, Head-Marsden K
Chem Sci . 2024 Nov; 15(47):19834-19841. PMID: 39568905
Understanding the spin dynamics in low-temperature settings is crucial to designing and optimizing molecular spin systems for use in emerging quantum technologies. At low temperatures, irreversible loss occurs due to...
3.
Lampert J, Krogmeier T, Schlimgen A, Head-Marsden K
J Chem Phys . 2024 Nov; 161(17). PMID: 39484890
Accurate modeling of transition metal-containing compounds is of great interest due to their wide-ranging and significant applications. These systems present several challenges from an electronic structure perspective, including significant multi-reference...
4.
Oh E, Krogmeier T, Schlimgen A, Head-Marsden K
ACS Phys Chem Au . 2024 Jul; 4(4):393-399. PMID: 39069975
There has been a recent interest in quantum algorithms for the modeling and prediction of nonunitary quantum dynamics using current quantum computers. The field of quantum biology is one area...
5.
Hart C, Schlimgen A, Dao D, Head-Marsden K, Mabbs R
J Chem Phys . 2024 Jan; 160(4). PMID: 38258918
Photodetachment spectra of anionic species provide significant insights into the energies and nature of ground and excited states of both the anion and resultant neutral molecules. Direct detachment of the...
6.
Krogmeier T, Pappas E, Reardon K, Rivera M, Head-Marsden K, Parsons B, et al.
J Chem Phys . 2023 Oct; 159(13). PMID: 37791625
We report the experimental resonance enhanced multiphoton ionization spectrum of isoquinoline between 315 and 310 nm, along with correlated electronic structure calculations on the ground and excited states of this...
7.
Schlimgen A, Guo Y, Head-Marsden K
J Phys Chem A . 2023 Aug; 127(32):6764-6770. PMID: 37531508
Molecular spins have a variety of potential advantages as qubits for quantum computation, such as tunability and well-understood design pathways through organometallic synthesis. Organometallic and heavy-metal-based molecular spin qubits can...
8.
Schlimgen A, Head-Marsden K, Sager L, Narang P, Mazziotti D
Phys Rev Lett . 2022 Jan; 127(27):270503. PMID: 35061424
Electron transport in realistic physical and chemical systems often involves the nontrivial exchange of energy with a large environment, requiring the definition and treatment of open quantum systems. Because the...
9.
Head-Marsden K, Flick J, Ciccarino C, Narang P
Chem Rev . 2020 Dec; 121(5):3061-3120. PMID: 33326218
Discoveries in quantum materials, which are characterized by the strongly quantum-mechanical nature of electrons and atoms, have revealed exotic properties that arise from correlations. It is the promise of quantum...
10.
Head-Marsden K, Mazziotti D
J Phys Chem A . 2020 May; 124(23):4848-4854. PMID: 32469523
An active-space variational calculation of the two-electron reduced density matrix (2-RDM) is derived and implemented where the active orbitals are correlated within the pair approximation. The pair approximation considers only...