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Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines. 

Ground-based gravitational-wave detectors like Cosmic Explorer (CE) can be tuned to improve their sensitivity at high or low frequencies by tuning the response of the signal extraction cavity. Enhanced sensitivity above 2 kHz enables measurements of the post-merger gravitational-wave spectrum from binary neutron star mergers, which depends critically on the unknown equation of state of hot, ultra-dense matter. Improved sensitivity below 500 Hz favors precision tests of extreme gravity with black hole ringdown signals and improves the detection prospects while facilitating an improved measurement of source properties for compact binary inspirals at cosmological distances. At intermediate frequencies, a more sensitive detector can better measure the tidal properties of neutron stars. We present and characterize the performance of tuned CE configurations that are designed to optimize detections across different astrophysical source populations. These tuning options give CE the flexibility to target a diverse set of science goals with the same detector infrastructure. We find that a 40 km CE detector outperforms a 20 km in all key science goals other than access to post-merger physics. This suggests that CE should include at least one 40 km facility.

 

Abstract. Recent research on fold-switching metamorphic proteins has revealed some notable exceptions to Anfinsen's hypothesis of protein folding. We have previously described how a single point mutation can enable a well-folded protein domain, one of the two PAS (Per-ARNT-Sim) domains of the human ARNT (aryl hydrocarbon receptor nuclear translocator) protein, to interconvert between two conformers related by a slip of an internal β strand. Using this protein as a test case, we advance the concept of a “fragile fold”, a protein fold that can reversibly rearrange into another fold that differs by a substantial number of hydrogen bonds, entailing reorganization of single secondary structure elements to more drastic changes seen in metamorphic proteins. Here we use a battery of biophysical tests to examine several factors affecting the equilibrium between the two conformations of the switching ARNT PAS-B Y456T protein. Of note is that we find that factors which impact the HI loop preceding the shifted Iβ strand affect both the equilibrium levels of the two conformers and the denatured state which links them in the interconversion process. Finally, we describe small molecules that selectively bind to and stabilize the wild-type conformation of ARNT PAS-B. These studies form a toolkit for studying fragile protein folds and could enable ways to modulate the biological functions of such fragile folds, both in natural and engineered proteins. 

Gravitational-wave astrophysics has the potential to be transformed by a global network of longer, colder, and thus more sensitive detectors. This network must be constructed to address a wide range of science goals, involving binary coalescence signals as well as signals from other, potentially unknown, sources. It is crucial to understand which network configurations---the number, type, and location of the detectors in the network---can best achieve these goals. In this work we examine a large number of possible three-detector networks, variously composed of Voyager, Einstein Telescope, and Cosmic Explorer detectors, and evaluate their performance against a number of figures of merit meant to capture a variety of future science goals. From this we infer that network performance, including sky localization, is determined most strongly by the type of detectors contained in the network, rather than the location and orientation of the facilities.