Fully numerical methods for quantum chemistry

Project funded by Research Council of Finland, grant 353749. Participating organisations named by the source: University of Helsinki. Funded amount: EUR 240,000, as stated by the source. Runs 2022-09-01 to 2025-12-31. Keywords: Chemical sciences. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2026-07-23); national funding data, not CORDIS. Abstract given by the source: The large-scale quantum computers that are expected to become available in the future will afford the use of extremely accurate quantum chemical models, meaning that new investigations into the basis set error become necessary to ensure that it does not dominate the total error in the calculation. The problems with basis set error can be controllably removed with fully numerical methods, thus allowing one to reap the full benefits of quantum computers. The aim of this project is to develop new computational approaches and new free and open source software to allow the use of fully numerical methods in quantum chemistry. Although the main target of the project is software for future large-scale quantum computers, the research will yield methods that are also useful on existing digital computers.

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of Research Council of Finland. Retrieved 2026-10-28. Licence: Creative Commons Attribution 4.0 (OpenAIRE Graph). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: Creative Commons Attribution 4.0 (CC BY 4.0).

AI-assisted summary: A project funded by the Research Council of Finland aims to develop computational approaches and open-source software for fully numerical methods in quantum chemistry, with a budget of EUR 240,000 running from 2022 to 2025. Suggested technology pillar: computing. Generated by AI from the public source text; it may contain errors and the original source is authoritative.