pyMSER - An open-source library for automatic equilibration detection in Monte Carlo simulations
- Felipe Lopes de Oliveira
- Rodrigo Neumann Barros Ferreira
- et al.
- 2023
- ACS Spring 2023
Publications
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- Materials Discovery
3431 results for Materials Discovery
NeuTE - Neural Template Extraction
- Amol Thakkar
- Teodoro Laino
- 2023
- ACS Spring 2023
Data-Driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2023
- ACS Spring 2023
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- ACS Spring 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- ACS Spring 2023
AI as a peer: Polymer discovery with neuro-symbolic intelligent agents
- Sarathkrishna Swaminathan
- Dmitry Zubarev
- et al.
- 2023
- ACS Spring 2023
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2023
- ACS Spring 2023
Development of Ensemble Models for the Growth of Colloidal Spin-on-Glass Materials
- Tim Erdmann
- 2023
- APS March Meeting 2023
Cloud-based AI-driven autonomous lab
- 2023
- APS March Meeting 2023
Current induced magnetization switching of thick antiferromagnet and ferromagnet by Seeded Spin-Orbit Torque
- Binoy Krishna K. Hazra
- Banabir Pal
- et al.
- 2023
- APS March Meeting 2023