Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain
the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in
Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles
and JavaScript.
Dr Paulien Hogeweg — professor of bioinformatics at Utrecht University, who in the 1970s, together with Ben Hesper, coined the term ‘bioinformatics’ — talks to Nature Computational Science about her work on the Cellular Potts model, the integration of spatial information in modeling approaches, and her ongoing research on multilevel evolution.
Machine learning interatomic potentials (MLIPs) enable materials simulations at extended length and time scales with near-ab initio accuracy. They have broad applications in the study and design of materials. Here, we discuss recent advances, challenges, and the outlook for MLIPs.
The electrocatalytic nitrogen reduction reaction is a promising alternative to the Haber–Bosch process. However, the reproducibility and reliability of this process suffer from the persistence of false positives. Computational tools have the potential to alleviate this issue but several challenges must be addressed.
The Year of Open Science has highlighted the importance of sharing the code associated with peer-reviewed manuscripts. We at Nature Computational Science provide support — via policies and implementations within our submission system — to facilitate this task.
Artificial intelligence (AI) drives innovation across society, economies and science. We argue for the importance of building AI technology according to open-source principles to foster accessibility, collaboration, responsibility and interoperability.
Dr Barbara Liskov — a mostly retired Institute Professor at the Massachusetts Institute of Technology, a pioneer in object-oriented programming and distributed systems and the winner of the 2008 ACM A. M. Turing Award, which is the highest distinction in computer science — talks to Nature Computational Science about her work on data abstractions, her career trajectory and recognizing the contributions of women in computer science.