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NeurIPS 2024 Workshop AI4Mat Submissions
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction
Andre Niyongabo Rubungo
,
Kangming Li
,
Jason Hattrick-Simpers
,
Adji Bousso Dieng
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
MatExpert: Decomposing Materials Discovery By Mimicking Human Experts
Qianggang Ding
,
Santiago Miret
,
Bang Liu
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
A Physics Enforced Neural Network to Predict Polymer Melt Viscosity
Ayush Jain
,
Rishi Gurnani
,
Arunkumar Rajan
,
Hang Jerry Qi
,
Rampi Ramprasad
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
ML Force Fields for Computational NMR Spectra of Dynamic Materials across Time-Scales
NeurIPS 2024 Workshop AI4Mat Submission59 Authors
Published: 08 Oct 2024, Last Modified: 05 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
A Geometric Foundation Model for Crystalline Material Discovery
Shengchao Liu
,
Divin Yan
,
weitao Du
,
Zhuoxinran Li
,
Zhiling Zheng
,
Omar M. Yaghi
,
Christian Borgs
,
Hongyu Guo
,
Anima Anandkumar
,
Jennifer T Chayes
Published: 03 Nov 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
Viviane Torres da Silva
,
Alexandre Rademaker
,
Krystelle Lionti
,
Ronaldo Giro
,
Geisa Lima
,
Sandro Rama Fiorini
,
Marcelo Archanjo
,
Breno W S R Carvalho
,
Rodrigo Neumann Barros Ferreira
,
Anaximandro Souza
,
João Pedro Gandarela de Souza
,
Gabriela de Valnisio
,
Carmen Paz
,
Renato Cerqueira
,
Mathias B Steiner
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Deconstructing equivariant representations in molecular systems
Kin Long Kelvin Lee
,
Mikhail Galkin
,
Santiago Miret
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024 Spotlight
Readers:
Everyone
Automated Atomic Force Microscopy Using Large Language Models
NeurIPS 2024 Workshop AI4Mat Submission53 Authors
Published: 08 Oct 2024, Last Modified: 09 Dec 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Force Field Optimization by End-to-End Differentiable Atomistic Simulation
NeurIPS 2024 Workshop AI4Mat Submission52 Authors
Published: 08 Oct 2024, Last Modified: 03 Dec 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Chemical Language Meets Geometric Graphs: A Multimodal Fusion Approach for Molecular Properties
Collin Francel
,
Massimiliano Lupo Pasini
,
Zachary R Fox
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
MaCBench: A multimodal chemistry and materials science benchmark
NeurIPS 2024 Workshop AI4Mat Submission50 Authors
Published: 08 Oct 2024, Last Modified: 04 Nov 2024
AI4Mat-NeurIPS-2024 Spotlight
Readers:
Everyone
ChemLit-QA: A human evaluated dataset for chemistry RAG tasks
Geemi Wellawatte
,
Huixuan Guo
,
Magdalena Lederbauer
,
Anna Borisova
,
Matthew Hart
,
Marta Brucka
,
Philippe Schwaller
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024 Spotlight
Readers:
Everyone
Simultaneous Discovery of Reaction Coordinates and Committor Functions Using Equivariant Graph Neural Networks
NeurIPS 2024 Workshop AI4Mat Submission48 Authors
Published: 08 Oct 2024, Last Modified: 03 Dec 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Discovering Multi-Layer Films for Electromagnetic Interference Shielding and Passive Cooling with Multi-Objective Active Learning
Mingxuan Li
,
Jungtaek Kim
,
Paul Leu
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Reaction Graph Networks for Inorganic Synthesis Condition Prediction of Solid State Materials
Thorben Prein
,
Fuzhan Rahmanian
,
Kesava Prasad Arul
,
Jasmin El-Wafi
,
Menelaos Panagiotis Fotiadis
,
Jan Heimann
,
Paul Weinmann
,
Yifei Duan
,
Elton Pan
,
Elsa Olivetti
,
Jennifer L.M. Rupp
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Optimal Spectroscopic Measurement Design: Bayesian Framework for Rational Data Acquisition
Yusei Ito
,
Yasuo Takeichi
,
Hideitsu Hino
,
Kanta Ono
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Evaluating Chemistry Prompts for Large-Language Model Fine-Tuning
Carmelo Gonzales
,
Michael Martin Pieler
,
Kevin Maik Jablonka
,
Santiago Miret
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search
Akshay Subramanian
,
James Damewood
,
Juno Nam
,
Kevin P. Greenman
,
Avni P. Singhal
,
Rafael Gomez-Bombarelli
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Leveraging Pre-Trained LMs for Rapid and Accurate Structure Elucidation from 2D NMR Data
Susanna Di Vita
,
Florian Grötschla
,
Luca A Lanzendörfer
,
Roger Wattenhofer
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
RHAAPsody: RHEED Heuristic Adaptive Automation Platform Framework for Molecular Beam Epitaxy Synthesis
Sarah Akers
,
Henry W. Sprueill
,
Jenna Pope
,
Arman Ter-Petrosyan
,
Derek Hopkins
,
Ajay Harilal
,
Jijo Christudasjustus
,
Vinyay Amatya
,
Patrick Gemperline
,
Ryan Comes
,
Tiffany Kaspar
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Dynamic Beam Enumeration: A Bridge Between Generative Molecular Design and Library Screening
Victoire Lang
,
Jeff Guo
,
Philippe Schwaller
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
SAFE setup for generative molecular design
Yassir El Mesbahi
,
Emmanuel Noutahi
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Diversity-Based Two-Phase Pruning Strategy for Maximizing Image Segmentation Generalization with applications in Transmission Electron Microscopy
ZE-WEI YE
,
HUNG-WEI HSUEH
,
Shu-han Hsu
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Bayesian Optimization for Protein Sequence Design: Back to Simplicity with Gaussian Processes
Carolin Benjamins
,
Shikha Surana
,
Oliver Bent
,
Marius Lindauer
,
Paul Duckworth
Published: 08 Oct 2024, Last Modified: 03 Nov 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
Microstructure modeling of deformed alloys using contrastive conditional generative adversarial networks
NeurIPS 2024 Workshop AI4Mat Submission34 Authors
Published: 08 Oct 2024, Last Modified: 09 Dec 2024
AI4Mat-NeurIPS-2024
Readers:
Everyone
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