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Welcome to atomistica.online Articles & Tutorials CPUs for Quantum Mechanical Calculations on Budget (in 2025) Modern ab initio and semi-empirical electronic-structure codes exploit vector instructions and many cores to reduce simulation time. Codes such as xTB, ORCA, Gaussian, and Quantum ESPRESSO perform millions of floating-point operations to construct Fock matrices, diagonalize Hamiltonians, and evaluate gradients. […]

Welcome to atomistica.online Articles & Tutorials Mini PCs and Intel NUCs – Compact Powerhouses for Modern Computing Personal computers no longer have to be big beige towers. Over the past two decades, the demand for small-footprint machines has given rise to an entire category of “mini PCs.” These compact computers use low-power components and omit

Welcome to atomistica.online Articles & Tutorials Synopsys Acquires Ansys: A New Era for Engineering and Atomistic Modeling In July 2025, Synopsys, one of the world’s leading electronic design automation (EDA) companies, officially completed its $35 billion acquisition of Ansys, a global pioneer in physics-based engineering simulation. The deal, years in the making and involving regulatory