相关论文: NMR spectroscopy and computing beyond myth and fic…
Nuclear Magnetic Resonance (NMR) spectroscopy is an important analytical tool in chemistry, biology, and life science, but it suffers from relatively low sensitivity and long acquisition time. Thus, improving the apparent signal-to-noise…
Quantum computers are hypothetical devices, based on quantum physics, that would enable us to perform certain computations hundreds of orders of magnitude faster than digital computers. This feature is coined as "quantum supremacy" and one…
Quantum computing is one of the most enticing computational paradigms with the potential to revolutionize diverse areas of future-generation computational systems. While quantum computing hardware has advanced rapidly, from tiny laboratory…
The Computational Metaphor, comparing the brain to the computer and vice versa, is the most prominent metaphor in neuroscience and artificial intelligence (AI). Its appropriateness is highly debated in both fields, particularly with regards…
The quantum world is fascinating. It presents a description of nature that defies our most rooted concepts about what reality is. For example, quantum objects possess \lq\lq spooky\rq\rq\ properties that allow them to be in multiple places…
Nuclear Magnetic Resonance (NMR) spectroscopy is fundamental for molecular structure elucidation, yet interpreting spectra at scale remains time-consuming and highly expertise-dependent. While recent spectrum-as-language modeling and…
Discovering a new field is not usually an easy process, especially when you choose magnetic resonance imaging (MRI). MRI is one of the few non-invasive medical procedures, if not the only one, that someone can receive in modern day…
Nuclear Magnetic Resonance (NMR) spectroscopy is the cornerstone of small-molecule structure elucidation. While deep learning has demonstrated significant potential in automating structure elucidation and spectral simulation, current…
Deviations of the observed cosmic microwave background (CMB) from the standard model, known as "anomalies", are obviously highly significant and deserve to be pursued more aggressively in order to discover the physical phenomena underlying…
I wish to discuss a large, interwoven set of topics pointed at in the title above. Much of what I say is highly speculative, some is testable, some is, at present, surely not. It is, I hope, useful, to set these ideas forth for our…
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The paper by Bowen, Mancini, Fessatidis, and Murawski (2012 Phys. Scr. {\bf 85}, 065005) demonstrates in a dramatic fashion the serious difficulties that can arise when one rushes to perform numerical studies before understanding the…
Nuclear magnetic resonance (NMR) spectroscopy provides unparalleled access to molecular structure and dynamics but is traditionally limited by weak signal strength, requiring large sample volumes and high magnetic fields. Here, we…
An unusual regime for liquid-state nuclear magnetic resonance (NMR) where the magnetic field strength is so low that the $J$-coupling (intramolecular spin-spin) interactions dominate the spin Hamiltonian opens a new paradigm with…
Simulations of nuclear magnetic resonance (NMR) experiments can be an important tool for extracting information about molecular structure and optimizing experimental protocols but are often intractable on classical computers for large…
Reservoir computing (RC) has received recent interest because reservoir weights do not need to be trained, enabling extremely low-resource consumption implementations, which could have a transformative impact on edge computing and in-situ…
In relation to recent experimental data [1], we develop a theory framework for demonstrating the feasibility of detecting sharp Nuclear Magnetic Resonance (NMR) oscillations in a real time ESR data. The procedure is to follow real time…
Computational Medical Extended Reality (CMXR), brings together life sciences and neuroscience with mathematics, engineering and computer science. It unifies computational science (scientific computing) with intelligent extended reality and…
Despite its fundamental importance and widespread use for assessing reaction success in organic chemistry, deducing chemical structures from nuclear magnetic resonance (NMR) measurements has remained largely manual and time consuming. To…
Due to common misconceptions about the Church-Turing thesis, it has been widely assumed that the Turing machine provides an upper bound on what is computable. This is not so. The new field of hypercomputation studies models of computation…