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
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Towards provably accurate and globally applicable linear-scaling ab initio methods
- Aleksandros Sobczyk
- 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
Computational screening of solid sorbent materials for CO2 capture from molecular to process level
- Rodrigo Neumann Barros Ferreira
- Binquan Luan
- et al.
- 2023
- ACS Spring 2023
Natural Language Processing Markers for Psychosis and Other Psychiatric Disorders: Emerging Themes and Research Agenda From a Cross-Linguistic Workshop
- Hugo Corona Hernández
- Cheryl Corcoran
- et al.
- 2023
- Schizophrenia Bulletin
Policy Gradients for Probabilistic Constrained Reinforcement Learning
- Weiqin Chen
- Dharmashankar Subramanian
- et al.
- 2023
- CISS 2023
Accelerating network layouts using graph neural networks
- Csaba Both
- Nima Dehmamy
- et al.
- 2023
- Nature Communications
Selective Area Growth of GaAs Nanowires and Microplatelet Arrays on Silicon by Hydride Vapor-Phase Epitaxy
- Mohammed Zeghouane
- Gabin Grégoire
- et al.
- 2023
- Crystal Growth and Design
From basic sciences and engineering to epileptology: A translational approach
- Elie Bou Assi
- Kaspar Schindler
- et al.
- 2023
- Epilepsia