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Andrew Baldwin

Publications and source records attributed to Andrew Baldwin.

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Multi-spin control from one-spin pulses

Controlling ensembles of weakly coupled spins typically requires computationally expensive multispin optimisations. We present a compact framework that enables control of weakly coupled spin systems (of any spin), but using RF pulses optimised for a single spin-1/2. We do this by explicitly creating a GRAPE pulse with fixed 'active' evolution times using single spin-1/2 methods, and pulsing on one spin at a time. By enforcing this form uniformly across offsets ('band-schematic' pulses),chemical shift and scalar coupling evolution of the entire system can be precisely controlled. We demonstrate the approach by constructing band-schematic pulses and a continuously irradiated joint INEPT (JINEPT) that achieves band-selective transfer $I_z \rightarrow 2I_zS_z$. The framework is implemented in the software Seedless, which both rapidly generates such pulses and analyses the schematic form of arbitrary pulses, enabling robust multi-spin control, without multi-spin optimisation.

quant-ph

Pre-Quantized Deep Learning Models Codified in ONNX to Enable Hardware/Software Co-Design

This paper presents a methodology to separate the quantization process from the hardware-specific model compilation stage via a pre-quantized deep learning model description in standard ONNX format. Separating the quantization process from the model compilation stage enables independent development. The methodology is expressive to convey hardware-specific operations and to embed key quantization parameters into a ONNX model which enables hardware/software co-design. Detailed examples are given for both MLP and CNN based networks, which can be extended to other networks in a straightforward fashion.

cs.LG

Fast Molecular Compression by a Hyperthermal Collision Gives Bond-Selective Mechanochemistry

Using electrospray ion beam deposition, we collide the complex molecule Reichardt's Dye (C41H30NO+) at low, hyperthermal translational energy (2-50 eV) with a Cu(100) surface and image the outcome at single-molecule level by scanning tunneling microscopy. We observe bond-selective reaction induced by the translational kinetic energy. The collision impulse compresses the molecule and bends specific bonds, prompting them to react selectively. This dynamics drives the system to seek thermally inaccessible reactive pathways, since the compression timescale (sub-ps) is much shorter than the thermalization timescale (ns), thereby yielding reaction products that are unobtainable thermally.

physics.chem-ph