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Author

P. R. C. Kent

2 papers indexed here

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Aug 2026

Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: A benchmark quantum Monte Carlo study.

The accurate description of non-covalent interactions is critical for understanding the structure, dynamics, and eventual function of biomolecules. The adenine dimer serves as a benchmark system for computational methods due to its role in nucleic acid structures and its rich conformational landscape. In this study, we...

L. Washburn, A. Sedova, P. R. C. Kent · 0 citations
Preprint Sep 2026

Diffusion Quantum Monte Carlo Benchmark of Interlayer Binding and Charge Redistribution in Chemically Distinct Two-Dimensional Van Der Waals Bilayers

Interlayer interactions in two-dimensional materials can generate emergent phenomena absent in their constituent monolayers, including unconventional magnetic order, multiferroicity, and topological magnetic phases. Predicting such emergent behavior requires simultaneously resolving long-range dispersion, short-range o...

Kayahan Saritas, Hyeon-Jong Shin, Jaron T. Krogel et al. · 0 citations

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