Search Results for author: Gerbrand Ceder

Found 9 papers, 4 papers with code

Extracting Structured Seed-Mediated Gold Nanorod Growth Procedures from Literature with GPT-3

no code implementations26 Apr 2023 Nicholas Walker, John Dagdelen, Kevin Cruse, SangHoon Lee, Samuel Gleason, Alexander Dunn, Gerbrand Ceder, A. Paul Alivisatos, Kristin A. Persson, Anubhav Jain

To that end, we present an approach using the powerful GPT-3 language model to extract structured multi-step seed-mediated growth procedures and outcomes for gold nanorods from unstructured scientific text.

Language Modelling Relation Extraction

CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling

1 code implementation28 Feb 2023 Bowen Deng, Peichen Zhong, KyuJung Jun, Janosh Riebesell, Kevin Han, Christopher J. Bartel, Gerbrand Ceder

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials.

Atomic Forces

Structured information extraction from complex scientific text with fine-tuned large language models

no code implementations10 Dec 2022 Alexander Dunn, John Dagdelen, Nicholas Walker, SangHoon Lee, Andrew S. Rosen, Gerbrand Ceder, Kristin Persson, Anubhav Jain

Here, we present a simple sequence-to-sequence approach to joint named entity recognition and relation extraction for complex hierarchical information in scientific text.

Language Modelling Large Language Model +4

ULSA: Unified Language of Synthesis Actions for Representation of Synthesis Protocols

no code implementations23 Jan 2022 Zheren Wang, Kevin Cruse, Yuxing Fei, Ann Chia, Yan Zeng, Haoyan Huo, Tanjin He, Bowen Deng, Olga Kononova, Gerbrand Ceder

This work is an important step towards creating a synthesis ontology and a solid foundation for autonomous robotic synthesis.

A probabilistic deep learning approach to automate the interpretation of multi-phase diffraction spectra

no code implementations30 Mar 2021 Nathan J. Szymanski, Christopher J. Bartel, Yan Zeng, Qingsong Tu, Gerbrand Ceder

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra.

Probabilistic Deep Learning

COVIDScholar: An automated COVID-19 research aggregation and analysis platform

no code implementations7 Dec 2020 Amalie Trewartha, John Dagdelen, Haoyan Huo, Kevin Cruse, Zheren Wang, Tanjin He, Akshay Subramanian, Yuxing Fei, Benjamin Justus, Kristin Persson, Gerbrand Ceder

This has created a challenge to traditional methods of engagement with the research literature; the volume of new research is far beyond the ability of any human to read, and the urgency of response has lead to an increasingly prominent role for pre-print servers and a diffusion of relevant research across sources.

A critical examination of compound stability predictions from machine-learned formation energies

2 code implementations28 Jan 2020 Christopher J. Bartel, Amalie Trewartha, Qi. Wang, Alex Dunn, Anubhav Jain, Gerbrand Ceder

By testing seven machine learning models for formation energy on stability predictions using the Materials Project database of DFT calculations for 85, 014 unique chemical compositions, we show that while formation energies can indeed be predicted well, all compositional models perform poorly on predicting the stability of compounds, making them considerably less useful than DFT for the discovery and design of new solids.

Materials Science Computational Physics

Cannot find the paper you are looking for? You can Submit a new open access paper.