Python in Science Conferences

The CFSpy Python package is presented to compute reachable sets of nonlinear control-affine systems. The optimization part is done using SciPy Optimize.

This paper examines the acceleration of quantum chemistry calculations through modern implementations of Density Functional Theory (DFT). We present a comparative performance analysis between traditional frameworks and optimized implementations, demonstrating substantial computational efficiency gains. Applications to electrolyte membrane structure analysis illustrate practical benefits, enabling more extensive simulations in reduced timeframes. Benchmarks highlight speedups achieved via modern code optimization techniques in Python-based quantum chemistry environments.

Why can we solve some equations easily, while others seem impossible? And another thing: why is this knowledge hidden from us?

Scientific researchers need reproducible software environments for complex applications that can run across heterogeneous computing platforms. Modern open source tools, like Pixi and the CUDA conda-forge packages, provide reproducibility solutions for while providing high level semantics well suited for researchers.