most citedxChemAgents: Agentic AI for Explainable Quantum Chemistry

1 citations · 2 across the 5 of their papers we have counts for

collaborators

5 papers

cs.MA20251 cited

xChemAgents: Agentic AI for Explainable Quantum Chemistry

Can Polat, Mehmet Tuncel, Mustafa Kurban +2

Recent progress in multimodal graph neural networks has demonstrated that augmenting atomic XYZ geometries with textual chemical descriptors can enhance predictive accuracy across…

cs.CV2025

PhysicsNeRF: Physics-Guided 3D Reconstruction from Sparse Views

Mohamed Rayan Barhdadi, Hasan Kurban, Hussein Alnuweiri

PhysicsNeRF is a physically grounded framework for 3D reconstruction from sparse views, extending Neural Radiance Fields with four complementary constraints: depth ranking, RegNeRF…

cs.CV2025

Stress-Testing Multimodal Foundation Models for Crystallographic Reasoning

Can Polat, Hasan Kurban, Erchin Serpedin +1

Evaluating foundation models for crystallographic reasoning requires benchmarks that isolate generalization behavior while enforcing physical constraints. This work introduces a mu…

cs.LG20251 cited

Understanding the Capabilities of Molecular Graph Neural Networks in Materials Science Through Multimodal Learning and Physical Context Encoding

Can Polat, Hasan Kurban, Erchin Serpedin +1

Molecular graph neural networks (GNNs) often focus exclusively on XYZ-based geometric representations and thus overlook valuable chemical context available in public databases like…

cs.LG2025

Exploring Various Sequential Learning Methods for Deformation History Modeling

Muhammed Adil Yatkin, Mihkel Korgesaar, Jani Romanoff +2

Current neural network (NN) models can learn patterns from data points with historical dependence. Specifically, in natural language processing (NLP), sequential learning has trans…