Poster Title: 
Poster Abstract: 
Author First Name: 
Author  Last Name: 



Author Name:  Tina Melie
Poster Title:  Decoding genotype-phenotype associations in yeast metabolism with machine learning
Poster Abstract: 

Yeasts, a type of fungi, play a critical role in both ecological systems and industrial processes, including biofuel production. Despite their importance, many genes responsible for yeast metabolism remain unidentified, and the functions of numerous yeast genes are unknown. Our research aims to link these unknown genes to the metabolic processes they control by leveraging a combination of computational techniques and experimental methods to analyze nearly 1100 yeast genomes.

Fungi are pivotal in the natural breakdown of plant biomass and the conversion of resulting sugars into biofuels and valuable bioproducts, a process predominantly carried out by yeasts from the Saccharomycotina subphylum. While Saccharomycotina yeasts collectively possess a remarkable ability to metabolize a wide array of sugars, many of these metabolic capabilities are poorly understood. However, phenotypic data on sugar metabolism and other traits under 75 conditions are available for a diverse array of yeasts, many of which now have corresponding genomic data.

In this study, we apply machine learning methods to analyze gene orthologs across approximately 1100 yeast genomes with the goal of linking genotypes to metabolic phenotypes. Our approach accurately predicts numerous sugar metabolic traits across the Saccharomycotina subphylum and ranks genes potentially related to each trait. Among the high-ranking genes, we identify many experimentally validated Saccharomycotina genes associated with sugar metabolic pathways. Additionally, we uncover genes of unknown function that have not previously been associated with sugar metabolism, making them ideal candidates for further experimental investigation.

Poster File URL:  View Poster File


Author Name:  Bianca Costa
Poster Title:  Pore-C for Wastewater ARG Host Range Characterization
Poster Abstract: 

Wastewater treatment plants (WWTPs) are an important reservoir of antibiotic-resistant bacteria and likely contribute to the propagation of antibiotic resistance genes (ARGs). While ARGs have been quantified in such matrices, the bacterial host range of ARGs is determined in silico. Pore-C, a novel 3C long-read sequencing technique, relies on spatial cross-linking of genomic material within the same cell. Applying this technique for the first time in the WWTPs matrix expands the knowledge of the host range of ARGs as it is determined with in vitro association techniques and bioinformatics tools.


Poster File URL:  View Poster File


Author Name:  Jorge Galvez
Poster Title:  Quantum chemistry simulations to avoid lab time
Poster Abstract: 
Quantum chemistry calculations have always been accurate when done properly however, those accurate ones have always been the most expensive. Spending 4 weeks of continuous compute time to obtain an answer that could be obtained in a week at the lab is useless in modern times. Thanks to the advent of high performance computing quantum chemical calculations at high accuracy levels have become feasible. But are we at a point where a simulation can save up an experiment? The efficient use of modern computing is key to enable this, and the use of GPU acceleration has been the primary driving force. The HPC implementation of relevant quantum chemistry methods is explored in this poster.
Poster File URL:  View Poster File


Author Name:  Reshma Anna Thomas
Poster Title:  Searching and localizing fast radio bursts
Poster Abstract: 
Fast radio bursts (FRBs) are millisecond duration, energetic radio bursts from extragalactic distances. Their origins and their sources are still unknown. To constrain the sources of these enigmatic bursts, it is important to discover a lot of them, preferably in real-time and also to localize them precisely on sky. This is a data intensive process as the data requires microsecond resolution and large bandwidths to be sensitive to these bursts. In this poster, I briefly talk about two main projects that aims to do the above. The Petabyte Project (TPP) aims to search for FRBs in petabytes of traditional data with different data formats and types, using a unified pipeline. The fully automated pipeline will search all the data in a homogeneous way. The challenge of the high data volume is handled by utilizing GPU acceleration of the code and also using a machine learning classifier to reject artifacts.  The second project, realfast, is a real-time FRB search system that runs in commensal with primary observations at the Very Large Array (VLA). It makes images of the sky at millisecond cadence and searches for FRB candidates. This allows for real-time detection and localization of FRBs.  In the future, I plan to implement a similar real-time system on other telescopes, like LOFAR. 
Poster File URL:  View Poster File


Author Name:  James Afful
Poster Title:  Enhancing Indoor Air Quality in Existing Educational Buildings: A Retrofit Guide for K-12 Schools
Poster Abstract: 

Indoor air quality (IAQ) in educational buildings significantly affects student health, comfort, and learning outcomes. Many existing K-12 schools face challenges in maintaining optimal IAQ due to outdated infrastructure and inadequate ventilation systems. This research aims to develop a comprehensive retrofit guide to enhance IAQ in these buildings using advanced Computational Fluid Dynamics (CFD) simulations and High-Performance Computing (HPC). 

Data were collected from several representative classroom environments, capturing key parameters affecting IAQ like temperature and air velocity. CFD simulations were conducted on HPC  clusters and Azure Cloud using an octree-based parallelized in-house dendrite code. These simulations employed PDE-based multiphysics models and Large Eddy Simulations (LES) with Variational Multiscale Methods to accurately model airflow patterns. 

The simulations revealed significant insights into the current IAQ, showing areas in the classrooms with sub-standard comfort. Future research will extend these simulations to additional classroom typologies and develop detailed retrofit guidelines for different climate zones. Collaborations with K-12 schools will facilitate the implementation and testing of these guidelines, ensuring their practicality and effectiveness.

Poster File URL:  View Poster File


Author Name:  Titus Nyarko Nde
Poster Title:  Mass Calibration of Dark Matter Halos
Poster Abstract: 

Galaxy clusters, the largest gravitationally bound structures in the universe, offer valuable insights into the evolution of large-scale structures and the fundamental properties of the Universe, such as dark matter and dark energy. Accurate mass calibration of these clusters is crucial for utilizing them as cosmological probes, but significant observational challenges often complicate this. In this work, we fit the mass of galaxy clusters while incorporating systematic effects into cosmological simulations, addressing a common shortfall in such simulations. We consider data from the mini Uchuu and Cardinal simulations, binning the data by richness and redshift. By stacking the lensing profiles of these clusters, we derive the mean mass profiles, concentration, and additional parameters accounting for systematic effects, such as boost factor parameters. This approach mitigates the high statistical uncertainty inherent in individual cluster measurements and allows for a direct comparison between the simulation results and observational data. Our analysis considers various systematic effects, including shear and photometric redshift uncertainties, cluster miscentering, dilution of the source sample, and projection effects. We demonstrate that by systematically incorporating these effects into simulations, we can accurately retrieve the true parameters from observational data, enhancing the fidelity and applicability of simulations in cosmological research. Furthermore, our exploration of small and large radial scales reveals the differential impact of systematic effects, with the small-scale fits exhibiting better constraining power and agreement with the data. This is because the projection effect is a predominantly large-scale effect. The insights gained from this study contribute to our enhanced understanding of the systematic effects and how to factor them into existing analytic models and simulations, paving the way for more accurate analyses of the latest data releases from astronomical surveys.

Poster File URL:  View Poster File


Author Name:  Carl Schmitz
Poster Title:  Investigating the challenges facing the CRISPR-Cas guide selection
Poster Abstract: 
CRISPR-Cas gene editing is a versatile approach that has seen application in a broad range of research areas. The successful application of CRISPR-Cas gene editing relies on selecting an appropriate guide RNA. Ensuring that the chosen guide RNA successfully introduces the desired edit is vital. Furthermore, there is the potential for the guide RNA to match to a similar site incorrectly. Currently, computational methods exist to analyse candidate guides and report the potential efficiency and the off-target risk. It has been identified that a major limitation that affects most guide design tools, is the genome size. Large genomes require unfeasible amounts of memory or time. In addition, new datasets and findings have become available that are not incorporated into current methods. Our research focuses on methods addressing these issues.

Poster File URL:  View Poster File


Author Name:  Isaiah Cuadras
Poster Title:  The Combined Influence of Rotation & Topography on Boundary Layer Structure
Poster Abstract: 

Much like the turbulence we experience in an airplane, ocean turbulence is characterized by vigorous, random motion of water. This is important for the modulation of currents and material properties, influencing spatial scales that vary from a few meters to hundreds of kilometers. These variations are important for understanding and anticipating climatic changes and ecosystem resilience. In the ocean, irregular bottom topography is particularly efficient at generating near-bottom turbulence, although what controls the strength and nature of the turbulence is still not thoroughly understood. My research uses a method called Large Eddy Simulations to understand the interplay between turbulence, topography, and earth's rotation. 

Poster File URL:  View Poster File


Author Name:  Lorenzo Breschi
Poster Title:  HPC AI for Climate Change prediction
Poster Abstract: 

Kilometer-scale modeling of global atmosphere dynamics enables fine-grained weather forecasting and decreases the risk of disastrous weather and climate activity. Therefore, building a kilometer-scale global forecast model is a persistent pursuit in the meteorology domain. Active international eorts have been made in past decades to improve the spatial resolution of numerical weather models. Nonetheless, developing the higher resolution numerical model remains a long-standing challenge due to the substantial consumption of computational resources. Recent advances in data-driven global weather forecasting models utilize reanalysis data for model training and have demonstrated comparable or even higher forecasting skills than numerical models. However, they are all limited by the resolution of reanalysis data and incapable of generating higher resolution forecasts.

Poster File URL:  View Poster File


Author Name:  Alexander Michael Imre
Poster Title:  ViPErLEED: A Comprehensive Package for Quantitative Low-energy Electron Diffraction
Poster Abstract: 

Low-Energy Electron Diffraction (LEED) is a commonly employed technique for surface structure characterization. It can provide quick, qualitative insights into surface periodicity and ordering. However, simple LEED analysis overlooks a large amount of quantitative information that is contained in the diffracted electron beams. This additional information is extracted by LEED I(V) via analysis of beam intensities as a function of the electron acceleration voltage. 

LEED I(V) can be a powerful tool for surface structure investigation, as the curves are sensitive surface atom positions at the picometer scale. Comparison of measured and theoretical intensities gives a strong test for surface structure models. Yet, LEED I(V) remains an underutilized technique because current software solutions are lacking in usability to a degree that makes them inaccessible for routine applications for all but few specialized groups.

To overcome this issue, we present the Vienna Package for TensErLEED (ViPErLEED) which aims to provide a unique all-in-one package for LEED I(V). On the experimental side, ViPErLEED includes electronics to easily upgrade existing LEED setups without extensive modifications and a spot-tracking tool for I(V) curve extraction. On the theory side, we introduce a Python package for calculation and optimization of theoretical LEED-I(V) spectra. The ViPErLEED software is developed based on, and as an extension to, the established TensErLEED package. It further uses standard file formats, enables automated symmetry detection, and can set up calculations with just a handful of parameters.

Poster File URL:  View Poster File