Reusable libraries in quantum chemistry 2025

The purpose of this meeting is to catalyze discussions within the quantum chemistry community on the potential of new reusable libraries, following the main organizer's recent call to arms in J. Chem. Phys. 159, 180901 (2023). Reusable libraries exhibit great promise in reducing maintenance costs of quantum chemical software, and accelerate the development of science. The meeting thus has an explicit focus on enabling discussions and networking between various projects, which can result in the development of new reusable libraries for novel topics.

Following the example of computer science meetings, the main focus of the conference is on poster sessions in order to maximize the number of presentations at the meeting and to enable in-person discussions between the participants. Our aim is to allow all attendees to present a poster.

We welcome anyone interested in quantum chemistry software development to participate. We hope to attract both seasoned senior developers of established open source and commercial packages, as well as advanced graduate students and postdocs in the meeting to talk about best practices in quantum chemical software development. Our target audience is people who are already working on quantum chemistry software development. While we especially hope to attract developers of existing program packages or open source libraries, as our aim is also to enable the networking necessary to form novel initiatives that have the potential to revolutionize how quantum chemistry software is developed, people working in commercial or closed-source packages are also welcome to attend the meeting, especially if they are open to developing with or relying on novel open source libraries in their projects.

The meeting will be held at the Majvik Conference Center, which is situated in beautiful nature a half hour's distance from the Helsinki international airport. The isolated setting with full room and board will allow excellent opportunities to network with colleagues working within quantum chemistry software development.

Invitation letters

If you need an invitation letter to get a visa or funding to attend the meeting, please contact Susi Lehtola directly.

Registration

Late registration is still possible. We can fit around 100 participants. The registration is on a first come, first served basis. The conference fee is 625 € which includes coffee breaks, lunches, and dinners for the meeting. Link to the payment form here.

Participants will also have to separately book and pay for housing at Majvik. The conference rate is 115 €/night for single rooms, and 140 €/night for double rooms; these prices include breakfast, completing the full room and board. The housing reservation is done via email, mention the conference booking code 63580 in your message.

Abstract submission

Late abstract submission is still possible. Abstracts are submitted using this Google Form. Please use the attached template for abstract submission. The final deadline for abstracts is April 20 2025 May 5 2025, same as the late registration deadline. You have to be registered to the meeting in order for your abstract to be considered.

Travel

Majvik is a short taxi ride away from the Helsinki-Vantaa international airport, which has connections to most major international hubs. Note that Uber is legal in Finland, and we recommend using it to avoid potential issues with unregulated taxis on the free market.

We will organize pooled taxis or bus transport to the airport or to downtown Helsinki at the end of the meeting, 16:00 on Thursday July 3. You should reach the airport around 16:30, and be able to catch an evening flight to major European hubs.

Timetable

The meeting begins with a welcome dinner reception at 18:00 local time on Sunday June 29 2025. The meeting ends at 16:00 local time on Thursday July 3 2025. Please book your flights so that you can attend the whole of the meeting.

The preliminary time table for the meeting is as follows

The final program and time table will be prepared after the full set of abstracts.

Keynote speakers

The meeting will feature a limited number of keynote talks to introduce various key issues in quantum chemistry software. The keynote talks are given by Lori Burns, Peter Knowles, Ask Hjorth Larsen, Jessica Nash, Anthony Scemama, and Edward Valeev.

Organizing committee

Susi Lehtola, Dage Sundholm, Antti Karttunen, and Stefan Taubert

Scientific committee

Confirmed members of the scientific committee so far: Garnet K. Chan, T. Daniel Crawford, Roland Lindh, Frank Neese, Dmitrij Rappoport

Important days and information

• Registration opened: 11 February 2025
• Deadline for registration: 20 April 2025 (Finnish time) 5 May 2025 (Finnish time)
• Deadline for abstract submission: 20 April 2025 (Finnish time) 5 May 2025 (Finnish time)
• Notification of acceptance of contributions: mid May 2025
• Final program released: mid May 2025

Sponsors

• CECAM - Centre Européen de Calcul Atomique et Moléculaire
• Federation of Finnish Learned Societies - Tieteellisten Seurojen Valtuuskunta