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Merge pull request #91 from jsubida/papers-notebooks
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Papers notebooks
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mrmundt authored Aug 26, 2024
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8 changes: 8 additions & 0 deletions pages/program/abstracts/notebooks.md
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<a href="https://zenodo.org/communities/usrse24/records?q=&f=resource_type%3Asoftware%2Binner%3Asoftware-computationalnotebook&l=list&p=1&s=10&sort=newest" target="_blank" class="btn btn-light btn-lg" role="button" alt="Button link to all notebooks">View Published</a>

## Community Resilience Research Using IN-CORE - Case Study with 2011 Tornado Event at Joplin, MO

_Chen Wang, Jong Lee, Chris Navarro, Rashmil Panchani, Yong Wook Kim, Y-Lan Yang, Rob Kooper, Vismayak Mohanarajan, Wanting Lisa Wang, Lisa Watkins_
Expand All @@ -20,6 +22,8 @@ The notebook contains the following analyses: structural damage analysis on buil

Lastly, the core logic of this notebook is used to power the IN-CORE Community Resilience Playbook, an interactive guide for community resilience planning. It has been used in workshops with the city planners and government officials, making it a valuable resource for resilience planning.

<a href="https://zenodo.org/records/13366089" target="_blank" class="btn btn-light btn-lg" role="button" alt="Button link to the notebook">Read More</a>

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## Using Radicals to Empower Budding Computational Chemists
Expand All @@ -28,6 +32,8 @@ _Jacob States, Isaac Spackman, Shubham Vyas_

The integration of computational physical chemistry into undergraduate laboratories presents a unique opportunity for collaboration with the research software engineering field. To promote more efficient computational workflows and foster engagement among budding programmers in computational modeling, we present this notebook investigating small molecules with unpaired electrons (radicals). The CF3 radical has been extensively explored in the chemical literature owing to its importance in ozone depletion from CFCs (chlorofluorocarbons) and its unusual geometric structure which deviates from the planar structure of the CH3 radical, despite the similar size of the fluorine atom and the hydrogen atom. Exploring trends along chemical groups is commonplace in the chemical literature, and as such we have created a notebook demonstrating the facile preparation and analysis of a simple experiment substituting the F atoms in the CF3 radical for other halogens in the same group (Cl, Br, I) in a combinatorial fashion. From a single excel sheet, input files for the quantum modeling software ORCA can be reproducibly generated. Upon completion of the requested calculations, the meaningful data is systematically extracted from the produced log files. This method contrasts with traditional practices in undergraduate labs in which students manually construct input files and scroll through log files to copy/paste data and demonstrates a more efficient and reproducible alternative. The notebook not only serves as an educational tool but also acquaints future research software engineers with the specialized software developed by computational chemists.

<a href="https://zenodo.org/records/13368429" target="_blank" class="btn btn-light btn-lg" role="button" alt="Button link to the notebook">Read More</a>

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## Hawaiʻi Climate Data Portal API Demo
Expand All @@ -36,4 +42,6 @@ _Jared McLean, Sean Cleveland_

The Hawaiʻi Climate Data Portal (HCDP) (available <https://www.hawaii.edu/climate-data-portal/data-portal/>) provides access to 30+ years of climatological data collected from sensor stations around the state of Hawaiʻi and gridded data products derived from these values. The HCDP is a publicly available web application and is backed by an API that is accessible to researchers on request. This notebook demonstrates some of the abilities and usage of the HCDP API and the data provided by it. The notebook will show the user how to retrieve and map sensor station metadata and values, retrieve gridded data products, produce timeseries of station and gridded data, and generate data packages for large amounts of data that can be downloaded directly or sent to the user’s email.

<a href="https://zenodo.org/records/13308991" target="_blank" class="btn btn-light btn-lg" role="button" alt="Button link to the notebook">Read More</a>

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8 changes: 8 additions & 0 deletions pages/program/abstracts/papers.md
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<a href="https://zenodo.org/communities/usrse24/records?q=&f=resource_type%3Apublication%2Binner%3Apublication-conferencepaper&l=list&p=1&s=10&sort=newest" target="_blank" class="btn btn-light btn-lg" role="button" alt="Button link to all papers">View Published</a>

## Enhancing the application of large language models with retrieval-augmented generation for a research community

_Juan José García Mesa, Gil Speyer_
Expand All @@ -21,6 +23,8 @@ and extracting detailed information from multiple sources. Our implementation le
a centralized repository of pre-trained models, and high-performance computing resources to provide
researchers with robust, private, and scalable solutions.

<a href="https://zenodo.org/records/13368208" class="btn btn-light btn-lg" target="_blank" role="button" alt="Button to resource">Read More</a>

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## Lab Dragon: An electronic Laboratory Notebook to Support Human Practices in Experimental Science
Expand Down Expand Up @@ -52,6 +56,8 @@ further posit that 3,300 RSE repositories with communities and a link to a resea
dying, and thus may benefit from sustainability support. Finally, across all RSE projects linked to a research
university, we empirically find the top repository languages are Python, C++, and Jupyter Notebook.

<a href="https://zenodo.org/records/13368204" class="btn btn-light btn-lg" target="_blank" role="button" alt="Button to resource">Read More</a>

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## Preferred Practices Through a Project Template
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constitute an effective project template and elucidate the advantages of consolidating preferred practices in
such a manner.

<a href="https://zenodo.org/records/13357328" class="btn btn-light btn-lg" target="_blank" role="button" alt="Button to resource">Read More</a>

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