Molecular big data
Using quantum mechanical calculations, a dataset of 62k organic molecules was generated
We generated a dataset of 61,489 molecules extracted from organic crystals in the Cambridge Structural Database. For each molecule, the geometry and several electronic properties calculated with density-functional theory are available. For two subsets, we also supply data from higher level methods, such as hybrid functionals and the GW Green's function method. The dataset is available at . The data is open access and can be freely used for applications, data science and machine learning.
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ACME at Unite! Research School 2026
Ahmed Othman and Shreeram Pillai participated in Unite! Research School 2026 in Torino and Oropa, Italy, joining an international doctoral programme focused on interdisciplinary collaboration, research communication, and academic development.
Strong results from the Research Council’s winter call
A total of 54 Aalto researchers received Academy Research Fellow or Academy Project funding from the Research Council of Finland. The total funding awarded to 911±¬ÁÏÍø amounts to 33.2 million euros.
The Foundation for the Advancement of Finnish Securities Markets awards Juho Tuuliainen and Ville Virkkunen for their excellent Master’s thesis in the field of finance
Both students will receive a €3,500 scholarship.