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
7 Pith papers cite this work, alongside 10 external citations. Polarity classification is still indexing.
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A PAI-tube injector delivers warm SF6 into a <3 K buffer gas cell with <200 mW heat load, enabling cold BaF production and planned use for RaF/RaOH.
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.
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.
Under strong oriented electric fields, nearly non-polar molecules such as CO and OCS can have two stable, chemically distinct orientations (0° and 180°) rather than one, a regime the authors call 'directomers'.
citing papers explorer
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Continuous thermochemical sources of AlF molecules
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.
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Design and Performance of a Heated Gas Injector for Producing Cold Molecular Beams
A PAI-tube injector delivers warm SF6 into a <3 K buffer gas cell with <200 mW heat load, enabling cold BaF production and planned use for RaF/RaOH.
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Enhanced Loading of a Molecular Magneto-Optical Trap
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).
-
Accelerating Locality-Driven Integration in Quantum Chemistry with Block-Structured Matrix Multiplication
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.
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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.
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Water Flow Through Polar and Non-Polar Nanopores: Insights from Multiscale Simulations
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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On the existence of distinct equilibrium configurations under orienting external electric fields
Under strong oriented electric fields, nearly non-polar molecules such as CO and OCS can have two stable, chemically distinct orientations (0° and 180°) rather than one, a regime the authors call 'directomers'.