The use of computational methods and tools to deepen our understanding of long-standing questions in the social sciences has been rapidly growing in recent years. This Collection includes manuscripts ...

Every medication in your cabinet, every material in your phone's battery, and virtually every compound that makes modern life work started as a molecular guess, with scientists hypothesizing that a ...

A deep learning framework combines convolutional and bidirectional recurrent networks to improve protein function prediction from genomic ...

Modeling and creating simulations are key skills in any math, science or engineering profession. That’s why we’ve created a unique, interdisciplinary computational science minor. This minor gives ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for ...

What is the Flatiron Institute? The Flatiron Institute is a newly opened private research institute that has an annual budget of $80m from the Simons Foundation – a non-profit organization that ...

Computational fluorescence microscopy (CFM) requires accurate point spread function (PSF) characterization for high-quality imaging. We propose a sample prior–based PSF decoupling method, where ...

Electro- and photocatalytic materials are central to enabling sustainable energy conversion processes such as water splitting, CO2 reduction, oxygen ...

Computational Interdisciplinary Graduate Program (CIGP) accepts students who have already been admitted to an associated degree-granting department at Purdue University. CIGP is not a degree-granting ...