For first-year BS Mechanical students, MATLAB is highly recommended as the best computational software due to its extensive use and capabilities in engineering applications. While Mathematica and Maple are mentioned, they serve different purposes and may not be as beneficial for beginners. Octave is a free alternative to MATLAB that offers similar functionality. MathCAD is user-friendly and has a good interface, but it struggles with solving systems of equations, making it less ideal for engineering tasks. Overall, MATLAB stands out as the preferred choice for foundational learning in mechanical engineering.