Orbital-Free Density Functional Theory Implementation with the Projector Augmented-Wave Method. - Jouko Lehtomäki; Ilja Makkonen; Miguel A. Caro; Ari Harju; Olga Lopez-Acevedo (CoRR, 2014)

Particle Swarm Based Hyper-Parameter Optimization for Machine Learned Interatomic Potentials. - Suresh Kondati Natarajan; Miguel A. Caro (CoRR, 2021)

Cluster-based multidimensional scaling embedding tool for data visualization. - Patricia Hernández-León; Miguel A. Caro (CoRR, 2022)

Tensor-reduced atomic density representations. - James P. Darby; Dávid Péter Kovács; Ilyes Batatia; Miguel A. Caro; Gus L. W. Hart; Christoph Ortner; Gábor Csányi (CoRR, 2022)