Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- 2023
- ACS Spring 2023
Bio
Aleksandros received his Diploma of Engineering and MSc from the Computer Engineering and Informatics Department of the University of Patras, Greece. He joined IBM Research - Zurich in June 2017 as an intern and later as a software engineer. He has worked for various projects but most prominently for IBM RXN for Chemistry. Since December 2021 he is pursuing a PhD in a collaboration between IBM Research and ETH Zurich. He is interested in Algorithms for Data Science, Scientific Computing and HPC, with applications in Material Science and Simulations.
Publications
Towards provably accurate and globally applicable linear-scaling ab initio methods
- 2023
- ACS Spring 2023
pylspack: Parallel Algorithms and Data Structures for Sketching, Column Subset Selection, Regression, and Leverage Scores
- 2022
- ACM TOMS
Approximate Euclidean lengths and distances beyond Johnson-Lindenstrauss
- 2022
- NeurIPS 2022
Large scale density estimation with polynomial expansions and Johnson-Lindenstrauss transformations
- 2022
- ACS Fall 2022
Patents
Translating A Natural Language Query Into A Formal Data Query
- 09 Aug 2021
- US
- 11086861
Collecting Training Data From Tex Files
- 02 Nov 2020
- US
- 10824788
Projects
AI for scientific discovery
Creating the AI-enabled lab for a new era of reproducible and collaborative experimentation
- Hybrid Cloud Platform
- Machine Learning
- Materials Discovery
- Accelerated Discovery
- Foundation Models
Top collaborators
TL
Teodoro Laino
Distinguished RSM, Manager
MM
Matteo Manica
Senior Research Scientist in Accelerated Discovery
AV
Alain Vaucher
Staff Research Scientist