CCS RCD Seminar – May 7, 2024

CCS RCD Seminar – May 7, 2024

Announcements, CCS RCD Seminar Series
May 7, 20243:00 pm – Refreshments3:30 pm – Presentation Speaker:Emilio Romano-Diaz, Argelander-Institute for Astronomy, University of Bonn, Germany Where:Davis Marksbury Building – James F. Hardymon Theatre(Zoom link: https://uky.zoom.us/s/84474671604) Title:Cosmology via big data in Astrophysics  Abstract: State-of-the-art observational surveys such as the one carried out by the EUCLID mission, BOSS, DES and forthcoming ones like LSST, HETDEX among others, will cover of the order of 10000 square degrees on the sky, with the primary science goal to unravel the nature of the physics responsible for the current accelerated expansion of the universe. The unprecedented and rich data provided by these surveys will make it possible to investigate fundamental physics (e.g. inflation, neutrino properties) and astrophysics (e.g. biasing, galaxy formation). The success of future large-scale galaxy surveys evidently requires a correct interpretation…
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CCS RCD Seminar – April 30, 2024

CCS RCD Seminar – April 30, 2024

Announcements, CCS RCD Seminar Series
April 30, 20243:00 pm – Refreshments3:30 pm – Presentation Speakers:(1) Barry Farmer, Center for Computational Sciences, University of Kentucky(2) Satrio Husodo, Information Technology Services - Research Computing Infrastructure, University of Kentucky(3) Vikram Gazula, Center for Computational Sciences, University of Kentucky Where:Davis Marksbury Building – James F. Hardymon Theatre(Zoom link: https://uky.zoom.us/s/84474671604) Title:Breaking Barriers: Accessing HPC Resources Through User-Friendly Interfaces Abstract:Navigating high-performance computing (HPC) resources can be daunting and challenging, even for experienced researchers, due to the reliance on the command-line interface.  This seminar will show you how to use HPC resources through web graphical user interfaces (GUIs).  These interfaces help users in the basic navigation of the cluster operating system, computational job submission, and data workflows.  For example, we will showcase Python data analysis workflows that can be easily performed on…
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CCS RCD Seminar – April 16, 2024

CCS RCD Seminar – April 16, 2024

Announcements, CCS RCD Seminar Series
April 16, 20243:00 pm – Refreshments3:30 pm – Presentation Speakers:(1) Chad Risko, Department of Chemistry, University of Kentucky (2) Hunter Moseley, Department of Molecular and Cellular Biochemistry, University of Kentucky Where:Davis Marksbury Building – James F. Hardymon Theatre(Zoom link: https://uky.zoom.us/s/84474671604) Titles:(1) Towards Machine-driven Discovery of Organic Materials(2) A cautionary tale about properly vetting datasets used in supervised learning predicting metabolic pathway involvement Abstracts:(1) There is significant interest in the development of organic materials for applications that span new generations of electronic, optical, and energy generation and storage technologies. The chemical space to be explored for these materials, however, is tremendously large, and at the same time it can often be difficult to derive clear chemical building block-to-material structure–property relationships. As these hurdles have served as significant impediments to the commercial…
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Nick Teets

Nick Teets

Featured Projects
Website: https://teetslab.com/Scholars@UK: https://scholars.uky.edu/en/persons/nicholas-teetsSlides from CCS/RCD Seminar on 3/19/2024: 20240319-Teets-Seminar.pdf Genomics and transcriptomics of extreme insects Insects are the most diverse and abundant animals on the planet, but Antarctica is the exception to that rule. Only a handful of species can survive Antarctica’s harsh terrestrial environments, and these insects have unique adaptations for coping with extreme abiotic conditions and long winters. Our lab is interested in the physiological and molecular mechanisms by which these insects survive (and thrive) at the bottom of the earth. Antarctic insects are difficult to collect and currently unamenable to laboratory rearing, so genomics provides a powerful tool for identifying mechanisms that underpin adaptation to extreme environments. We use a combination of transcriptomics, whole genome sequencing, and population genomics to characterize the molecular and evolutionary genetic processes…
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Chang-Guo Zhan

Chang-Guo Zhan

Featured Projects
Website: https://pharmacy.uky.edu/people/chang-guo-zhanScholars@UK: https://scholars.uky.edu/en/persons/chang-guo-zhanSlides from CCS/RCD Seminar on 3/19/2024: 20240319-Zhan-Seminar.pdf State-of-the-art computational drug design, discovery, and development: Challenges and opportunities Discovery and development of a novel drug to meet an unmet medical need is generally an extremely long and very costly process. This process may be accelerated by performing state-of-the-art computational design in all phases of drug discovery and development. Computational drug design has been evolving from ligand-based drug design to structure-based drug design and further to mechanism-based drug design. All these computational drug design methods are further powered by artificial intelligence and machine learning. Overall, the accuracy and efficiency of state-of-the-art drug design rely on development of both computing power and computational algorithms. In this seminar, I will first briefly discuss the general strategies of high-performance supercomputing used in the…
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UK researchers’ exploration of hagfish genome published in Nature

UK researchers’ exploration of hagfish genome published in Nature

News
CCS acknowledges Dr. Jeramiah Smith's impactful contribution to genomic research through his publication in Nature. His utilization of CCS resources underscores the vital role of computational support in advancing scientific understanding. Dr. Smith's collaborative effort sheds light on the early evolution of vertebrates through a comprehensive analysis of the hagfish genome. Discover more about his groundbreaking findings: Read more
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CCS RCD Seminar – March 19, 2024

CCS RCD Seminar – March 19, 2024

Announcements, CCS RCD Seminar Series
March 19, 20243:00 pm – Refreshments3:30 pm – Presentation Speakers:(1) Chang-Guo Zhan, Molecular Modelling and Biopharmaceutical Center, Center for Pharmaceutical Research and Innovation, and Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky(2) Nicholas Teets, Department of Entomology, University of Kentucky Where:Davis Marksbury Building – James F. Hardymon Theatre(Zoom link: https://uky.zoom.us/s/84474671604) Titles: (1) State-of-the-art computational drug design, discovery, and development: Challenges and opportunities  (2) Genomics and transcriptomics of extreme insects Abstracts:(1) Discovery and development of a novel drug to meet an unmet medical need is generally an extremely long and very costly process. This process may be accelerated by performing state-of-the-art computational design in all phases of drug discovery and development. Computational drug design has been evolving from ligand-based drug design to structure-based drug design and further to mechanism-based…
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CCS RCD Seminar – February 27, 2024

CCS RCD Seminar – February 27, 2024

Announcements, CCS RCD Seminar Series
February 27, 20243:00 pm – Refreshments3:30 pm – Presentation Speaker:(1) Tyler Burkett, UK ITSRCD, University of Kentucky(2) Helene Gold & Isaac Wink, UK Libraries, University of Kentucky Where:Davis Marksbury Building – James F. Hardymon Theatre(Zoom link: https://uky.zoom.us/s/84474671604) Title: (1) Tackling Big Data Storage Challenges(2) Services and Perspectives on Research Data Abstract: (1) Large data sets (a.k.a. “Big Data”) has become commonplace and is a driving force behind the impressive research capabilities being enabled by AI. Researchers are increasingly faced with a bewildering array of options when dealing with the challenges of managing big data sets. This talk will provide insights and best practices regarding the use and storage of large data sets including the various types of storage currently available, options for accessing and sharing data, tips for high-speed data…
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Chris Crawford

Chris Crawford

Featured Projects
Website: https://pa.as.uky.edu/users/cbcraw2Scholars@UK: https://scholars.uky.edu/en/persons/christopher-crawford Slides from CCS/RCD Seminar on 2/13/2024: sls_conv_2024-02-13_ccs.pdf Fitting Digital Signals in Real-Time using the Magic of Convolutions David Mathews, University of KentuckyAPS DNP talk, April 2019 With the availability of cost-effective digitizers and powerful pipeline processors, modern spectroscopy can be performed completely in the digital domain with minimal front-end analog signal processing. These systems offer the flexibility and extensibility of digital signal processing algorithms to simultaneously extract multiple waveform parameters such as pulse height and start time. However, up until now, the computationally intensive task of pulse fitting has traditionally been performed offline on computing clusters to obtain the final spectra. This research proposes new algorithms to perform these least-squares fits to template waveforms in real time on Field Programmable Gate Arrays (FPGAs) and GPUs. They will…
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Ted Kalbfleisch

Ted Kalbfleisch

Featured Projects
Website: https://gluck.ca.uky.edu/directory/ted-kalbfleischScholars@UK: https://scholars.uky.edu/en/persons/theodore-kalbfleischMember of the UK Genetics and Genomics Research Group: https://gluck.ca.uky.edu/geneticsSlides from CCS/RCD Seminar on 2/13/2024: CCS_Kalbfleisch_2024_02_13.pdf The Challenges and Opportunities of Reference Free Genomic Data Analysis Since its inception, the cost of generating high quality genomic sequence has plummeted toward zero. Pipelines that perform primary analyses and genome assembly have scaled well with available computing power and have rarely been a rate limiting step for genomic analyses. Historically, a species has had a single reference genome which has been well annotated for gene structure and epigenetic marks. Sequence data for any animals from that or a closely related species are mapped to that reference for analysis in that curated genomic context. The advent of inexpensive long, and ultralong sequencing technologies have made the assembly of phased, nearly gapless…
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