Niccolò Ricardi
Nationality: Italian
EPFL SB ISIC LCSO
BCH 4306 (Batochime UNIL)
Av. François-Alphonse Forel 3
1015 Lausanne
+41 21 693 41 30
Office: BCH 4303
EPFL › SB › ISIC › LCSO
Website: https://lcso.epfl.ch
Current Work
My interests in Chemistry included organic chemistry and physical chemistry, particularly quantum chemistry.
I developed an interest for programming and research data management which then became the core of my professional responsibilites.
Currently, I work for NCCR Catalysis, a nation-wide research programme with ETHZ and EPFL as home institutions, as Data Officer.
Curriculum vitae
Operating Systems: Linux, Windows
Programming languages: Python (numpy, scipy, pandas, matplotlib, scikit-learn, plotly, streamlit, airflow, rdflib, etc.), Javascript, R, SQL, SPARQL, C++, Bash
Languages and linguistics, event organisation, gastronomy (bread, pizza, focaccia, cooking for 30+ people, etc.), outdoor sports (hiking, ski-mountaineering, rock and ice climbing), strength sports (arm wrestling, weight training, callisthenics)
Professionals experiences
Data Officer
- define research data management (RDM) guidelines
- implement automation tools ensuring the application of the RDM guidelines
- supervise the application of RDM best practices at the programme level
- implement and maintain automation tools for data collection and processing for reporting to the Swiss National Science Foundation
- implement and maintain automation tools for program organisation (e.g. events)
Data Integration Specialist
- Work with neuroscientists to curate and integrate data in Blue Brain Project’s RDF-based knowledge graph with high quality metadata.
- Implement best practices for maintainable data products and deliver production-quality code for maintainable software development.
- Contribute to the development of data and knowledge structures for improving data integration and accessibility from a knowledge graph to support reasoning with knowledge graphs.
Python Developer
- Developed data visualisation dashboards and their relative data pipeline for the 2022-2023 mpox (formerly known as monkeypox) outbreak.
- Migrated the R package epitools to Python.
Doctoral Assistant
- Developed data pipelines(production, parsing, processing, curation/wrangling, storing and sharing, visualisation and analysis, database handling) and specific Python packages for this very purpose
- Designed computational experiments
- Led in the writing of reports and articles, coordinated research projects and the writing of their grant application (https://unige-cofunds.ch/huji/call-2018#4)
- Presented at international conferences and seminars
- Supervisor of students’ projects,teaching assistant for Computational Chemistry master’s course
- Workshop facilitator at the popular science project Chimiscope
Private tutor
Education
Multiscale methods
| Computational Chemistry
2017 – 2022
University of Geneva
Directed by
Prof. Tomasz Adam Wesoƚowski
Chemistry
| Focus on Organic and Physical (Computational) Chemistry
2014 – 2017
University of Geneva
Directed by
Prof. Tomasz Adam Wesoƚowski
Chemistry
| focus on Organic Chemistry and Physical Chemistry
2011 – 2014
Università degli Studi Milano-Bicocca
Directed by
prof. Luca Beverina
Awards
Master of Excellence Fellowship
University of Geneva
2014
Scientific Degrees Fellowship
Italian Chemical Society
2011
Selected publications
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
Niccolo Ricardi, Cristina E Gonzalez-Espinoza, Suliman Adam, Jonathan R Church, Igor Schapiro, Tomasz Adam Wesołowski
Published in Journal of Chemical Theory and Computation in 2023
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
Niccolò Ricardi, Cristina E González-Espinoza, Tomasz Adam Wesołowski
Published in The Journal of Chemical Physics in 2022
Approximations in Modelling the Environment in Frozen Density Embedding Theory and Their Effect on the Results
Niccolò Ricardi
Published in (PhD thesis) in 2022
Embedding-theory-based simulations using experimental electron densities for the environment
Niccolò Ricardi, Michelle Ernst, Piero Macchi, Tomasz Adam Wesolowski
Published in Acta Crystallographica Section A in 2020
Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory
Niccolò Ricardi, Alexander Zech, Yann Gimbal-Zofka, Tomasz A Wesolowski
Published in Physical Chemistry Chemical Physics in 2018
Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold
Alexander Zech, Niccolò Ricardi, Stefan Prager, Andreas Dreuw, Tomasz A Wesolowski
Published in Journal of Chemical Theory and Computation in 2018
Frontiers in Multiscale Modeling of Photoreceptor Proteins
Maria‐andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana‐nicoleta Bondar, Veniamin A Borin, Jonathan R Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza‐González, Ronald González, Cristina E González‐Espinoza, Rajiv K Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Perez de Alba Ortiz, Elisa Pieri, Aditya G Rao, Young Min Rhee, Niccolò Ricardi, Saumik Sen, Ilia A Solov'Yov, Luca De Vico, Tomasz A Wesolowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Published in Photochemistry and Photobiology in 2021
The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure
Roberto D Ortuso, Niccolò Ricardi, Thomas Bürgi, Tomasz A Wesolowski, Kaori Sugihara
Published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 2019