Continuous thermochemical sources produce bright AlF molecular beams that can be cooled to low rotational temperatures and velocities using buffer gas, potentially aiding molecular trapping.
Transition-potential coupled cluster II: optimisation of the core orbital occupation number
6 Pith papers cite this work, alongside 10 external citations. Polarity classification is still indexing.
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Monte Carlo modeling of a CaF DC MOT identifies capture-velocity improvements and an intrinsic loss mechanism, enabling an experimental trap with 1.5 million molecules (8x prior results).
KerneLDI accelerates exchange-correlation integration in Kohn-Sham DFT by up to 10x through block-structured matrix multiplication that exploits spatial locality on GPUs while preserving accuracy.
Molecules can form distinct equilibrium configurations called directomers under orienting electric fields by exploiting polarizability, leading to unique electronic and nuclear states in low-lying excited states.
A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.
Multiscale QM/MD/QM-MM simulations find higher water flow through asymmetric polar hBN nanopores than symmetric non-polar graphene nanopores due to induced electric dipoles and enhanced water structuring.
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Simulating high-accuracy nuclear motion Hamiltonians using discrete variable representation and Walsh-Hadamard QROM on fault-tolerant quantum computers
A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.