Poster Session

Advances in Atomistic Simulations

[P-AS-1] Hang Song
Extraction of Moment Closures for Strongly Non-Equilibrium Flows via Machine Learning
[P-AS-2] Jorge Antonio Amador Balderas
Computational Insights into DNA Repair Enzyme MBD4
[P-AS-3] Thomas Schraivogel
textM: How FAIR are We?
[P-AS-4] Giovanna Tosato
KadiAIgent: Active Learning–Driven Interoperable Workflows for Multi-Objective Materials Optimization
[P-AS-5] Junting Wang
Quantum-Chemistry-Enabled Molecular Design of Functional Nonbenzenoid Nanographenes: From π-Magnetism to Chiroptical Response
[P-AS-6] Christian Gutschka
Coupling Ab Initio Calculations to PVD Synthesis of Thin Films – A Multi-Methodic Approach
[P-AS-7] Johannes Menzel
Libheric: Heterogeneously Accelerated Electron Repulsion Integral Computation
[P-AS-8] Mahesh Yadav
Diffusive Dynamics of Intrinsically Disordered Proteins in the Condensed Phase
[P-AS-9] Yusuf Eren Tunc
Resolution-Switching in Biomembrane Simulations with Graph Neural Networks
[P-AS-10] Aleksander Jakub Szewczyk
Data-Driven Characterisation of 2D Polymers
[P-AS-11] Hongyu Gao
Adaptive Molecular Dynamics Framework for Viscosity Prediction and Shear-Thinning Analysis of Lubricant Molecules
[P-AS-12] Hendrik André Jung
Artificial Intelligence for Molecular Mechanism Discovery
[P-AS-13] Kushal Ramakrishna
Machine Learning Potentials for Fe-Ni Alloys: Physics-Informed Training via Special Quasirandom Structures
[P-AS-14] Xiao Hu
Text Driven Ab Initio Simulations of Chemical Reactions Using Large Language Models
[P-AS-15] Fabian Peschel
Automated High-Throughput Workflows for the All-Electron Full-Potential Code Exciting

HPC-Driven Decision Science: Optimization, Simulation, and AI for Economics and Management

[P-HD-01] Johanna Fröhlich
The Confusion is Real: GRAPHIC – A Network Science Approach to Confusion Matrices in Deep Learning
[P-HD-02] Andreas Fink
xbat – An Easy-to-Use and Broadly Applicable Benchmarking Automation Tool for HPC Software
[P-HD-03] Ankit Anil Chaudhari
Scaling Deep Reinforcement Learning and Stochastic Modeling: From Simulation to Real-World Deployment
[P-HD-04] Theresa Elbracht
Finding Saddles in Innovation Adoption Curves: An HPC-Supported Simulation-Optimization Approach
[P-HD-05] Yash Tyagi
Algorithmic Collusion in Vertical Supply Chains: A Multi-Agent Reinforcement Learning Framework
[P-HD-06] Martin Leandro Paleico
A Biologically Inspired Decision Network: the Basal Ganglia Model Running on Neuromorphic Hardware
[P-HD-07] Michael Bidollahkhani
Resilient HPC Operations through Observability-Aware Predictive Maintenance

Low and Mixed-Precision Computing for Simulation and AI

[P-LMP-01] Gulcin Gedik
A Taxonomy of Application Properties for Mixed-Precision Autotuning
[P-LMP-02] Prerana Chandratre
LLM-Based Agents can Autonomously Generate, Execute and Refine in Silico Models for Biology
[P-LMP-03] Bjarne Wintermann
FINN+: Highly Efficient Neural Network Inference in the Datacenter
[P-LMP-04] Felix Sternberg
PERNIX: Floating-Point Number De/Compression on CPUs
[P-LMP-05] Karan Rajshekar
Energy-Aware AI Workloads on Heterogeneous HPC Clusters via Adaptive GPU Frequency Control

Other

[P-O-01] Tobias Kortus
Constrained Collaborative Optimization of Charged Particle Tracking with Multi-Agent Reinforcement Learning
[P-O-02] Mohammad Rezaei Ravari
Process Rewards for Outcome-Guided Reasoning Steps in LLM Reinforcement Learning
[P-O-03] Wasama Sultan
Multiphase CFD Simulation of Fluidized Beds with Lagrangian Particle Tracking
[P-O-04] Sepehr Mahmoodianhamedani
A Benchmark Suite for Streaming Data Ingestion on Slurm-Based HPC Systems
[P-O-05] Heinrich Riebler
Multi-FPGA Infrastructure at PC2: Architectural Design and Integration of FPGAs in Modern HPC
[P-O-06] Lukas Ostermann
PERSEUS - Automating Workflows within a Scientific HPC Center
[P-O-07] Anila Ghazanfar
FFUSE: I/O Fault Injection and Resilience Scoring for HPC and AI Workloads
[P-O-08] Christoph Alt
Shallow Water Simulations on FPGAs with a Portable SYCL Implementation
[P-O-10] Abdul Rehman Tareen
Online Multi-Tau Autocorrelation for XPCS: An End-to-End Heterogeneous CPU+FPGA Pipeline
[P-O-11] Jonas Kupschus
GPU-Accelerated Bayesian Longitudinal Item Response Theory
[P-O-12] Marvin Kaster
Towards Brain-Scale Simulation with Structural Plasticity: A GPU Port of RELeARN
[P-O-13] Artemiy Belousov
A QGP Trigger Based on Convolutional Neural Network for the CBM Experiment
[P-O-14] A F M Mohimenul Joaa
KGNode: Path-Aware Subgraph Extraction for Training-Free Question Answering over RDF Knowledge Graphs
[P-O-15] Yussur Mustafa Oraji
Contract Verification for Parallel Programming Models 
[P-O-16] Shweta Singh
Ligand Sphere Effects on Dinitrogen Activation in Bimetallic Complexes
[P-O-17] Thalles Menezes Moreira
A Fully Pipelined Streaming Dataflow LeNet-5 in Hand Written VHDL, a Reference Baseline for Compiler Generated FPGA Inference
[P-O-18] Hon Wa Yew
Algorithmic Differentiation in Large-Scale Scientific Computing