Crystal-field tensor rank in non-magnetic molecular solids sets selection rules for nuclear-spin conversion of embedded H2, demonstrated via IR spectra showing rank-dependent Delta-m channels in CO2, N2O, and NO2 hosts.
Nucleic Acids Research40(D1), 420–427 (2012)
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RADAR-PD introduces a modality-aware ML system that generates phase hypotheses from elemental constraints and performs recursive multiphase analysis with physics-constrained verification on experimental diffraction data.
A pipeline samples site-disordered material configurations with 400 virtual cells when the supercell is large enough, improving computational feasibility over quasirandom or cluster expansion methods.
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Environment-imposed selection rules for nuclear-spin conversion of H$_2$ in molecular crystals
Crystal-field tensor rank in non-magnetic molecular solids sets selection rules for nuclear-spin conversion of embedded H2, demonstrated via IR spectra showing rank-dependent Delta-m channels in CO2, N2O, and NO2 hosts.
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Automated multiphase identification and refinement in powder diffraction using mismatch-tolerant machine learning
RADAR-PD introduces a modality-aware ML system that generates phase hypotheses from elemental constraints and performs recursive multiphase analysis with physics-constrained verification on experimental diffraction data.
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Virp: neural network-accelerated prediction of physical properties in site-disordered materials
A pipeline samples site-disordered material configurations with 400 virtual cells when the supercell is large enough, improving computational feasibility over quasirandom or cluster expansion methods.