N. M. Anoop Krishnan
- Probing the limitations of multimodal language models for chemistry and materials research
2024/11/25 by Nawaf Alampara, Alampara, Nawaf, Mara Schilling-Wilhelmi +13 · 4 voices · 15 citations
Computer Science · Arts and Humanities · #Semantic Web and Ontologies #linguistics and terminology studies #Natural Language Processing Techniques
- MatSciBERT: A Materials Domain Language Model for Text Mining and Information Extraction
2021/09/30 by Tanishq Gupta, Gupta, Tanishq, Mohd Zaki +5 · 15 citations
Materials Science · #Computation and Language (cs.CL) #Corrosion Behavior and Inhibition #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Are LLMs Ready for Real-World Materials Discovery?
2024/02/07 by Santiago Miret, N. M. Anoop Krishnan, Miret, Santiago +1 · 6 citations
Engineering · Materials Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Mineral Processing and Grinding
- Unravelling the Performance of Physics-informed Graph Neural Networks for Dynamical Systems
2022/11/10 by Abishek Thangamuthu, Thangamuthu, Abishek, Suresh Bishnoi +8 · 4 citations
Physics and Astronomy · Materials Science · Engineering · #Model Reduction and Neural Networks #Machine Learning in Materials Science #Fuel Cells and Related Materials
- Foundational Large Language Models for Materials Research
2024/12/12 by Vaibhav Mishra, Mishra, Vaibhav, Sourabh Singh +17 · 8 citations
Materials Science · #Machine Learning in Materials Science
- EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations
2023/10/03 by Vaibhav Bihani, Utkarsh Pratiush, Bihani, Vaibhav +17 · 4 citations
Materials Science · Biochemistry, Genetics and Molecular Biology · Computer Science · #Machine Learning in Materials Science #Protein Structure and Dynamics #Topic Modeling
- Looking Through Glass: Knowledge Discovery from Materials Science\n Literature using Natural Language Processing
2021/01/05 by Vineeth Venugopal, Venugopal, Vineeth, Sourav Sahoo +9 · 3 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Geochemistry and Geologic Mapping
- Learning Articulated Rigid Body Dynamics with Lagrangian Graph Neural Network
2022/09/23 by Ravinder Bhattoo, Sayan Ranu, Bhattoo, Ravinder +3 · 2 citations
Computer Science · Physics and Astronomy · #Computational Physics and Python Applications #FOS: Computer and information sciences #Machine Learning (cs.LG) #Model Reduction and Neural Networks #Neural Networks and Applications
- Disorder-induced enhancement of lithium-ion transport in solid-state electrolytes
2024/01/10 by Zhimin Chen, Tao Du, Chen, Zhimin +7 · 2 citations
Engineering · Materials Science · #Advanced Battery Materials and Technologies #Advancements in Battery Materials #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- TAGMol: Target-Aware Gradient-guided Molecule Generation
2024/06/03 by Vineeth Dorna, Dorna, Vineeth, D. Subhalingam +13 · 2 citations
Biochemistry, Genetics and Molecular Biology · #Advanced biosensing and bioanalysis techniques #Glycosylation and Glycoproteins Research #Advanced Biosensing Techniques and Applications
- Learning the Stress-Strain Fields in Digital Composites using Fourier Neural Operator
2022/07/07 by Meer Mehran Rashid, Rashid, Meer Mehran, Tanu Pittie +5 · 1 citation
Engineering · Environmental Science · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mechanical Behavior of Composites #Smart Materials for Construction #Ultrasonics and Acoustic Wave Propagation
- StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes
2023/01/29 by Vaibhav Bihani, Sahil Manchanda, Bihani, Vaibhav +7 · 1 citation
Materials Science · #Machine Learning in Materials Science
- CoDBench: A Critical Evaluation of Data-driven Models for Continuous Dynamical Systems
2023/10/02 by Priyanshu Burark, Karn Tiwari, Burark, Priyanshu +7 · 1 citation
Engineering · Physics and Astronomy · #Artificial Intelligence (cs.AI) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Fluid Dynamics and Vibration Analysis #Lattice Boltzmann Simulation Studies #Machine Learning (cs.LG) #Model Reduction and Neural Networks
- Revealing the Predictive Power of Neural Operators for Strain Evolution in Digital Composites
2023/07/18 by Meer Mehran Rashid, Souvik Chakraborty, Rashid, Meer Mehran +3 · 1 citation
Computer Science · Engineering · #Advanced machining processes and optimization #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Optical measurement and interference techniques #Ultrasonics and Acoustic Wave Propagation
- Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials
2025/02/05 by Santiago Miret, Miret, Santiago, Kin Long Kelvin Lee +7 · 2 citations
Materials Science · #Machine Learning in Materials Science
- AI scientists produce results without reasoning scientifically
2026/04/20 by Martiño Ríos-García, Nawaf Alampara, Chandan Gupta +5 · 6 voices
#cs.AI #cond-mat.mtrl-sci #cs.LG
- Force field optimization by end-to-end differentiable atomistic simulation
2024/09/20 by Abhijeet Gangan, Samuel S. Schoenholz, Gangan, Abhijeet S. +7 · 1 citation
Engineering · Materials Science · #Advanced Materials Characterization Techniques #Disordered Systems and Neural Networks (cond-mat.dis-nn) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Ion-surface interactions and analysis #Materials Science (cond-mat.mtrl-sci)