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Computational methods provide critical tools for precision tests of fundamental physics in high energy theory and gravitational wave astronomy, enabling systematic calculations that bridge theory with experimental observations. Traditionally, quantum field theory calculations rely on Feynman diagrams while general relativity employs direct study of Einstein’s equations, both facing computational barriers. New bootstrap methods now construct scattering amplitudes through mathematical structures and symmetries rather than diagram summation, while advances in numerical relativity enable stable simulation of black holes with matter. This thesis builds on bootstrap techniques for planar N = 4 super-Yang-Mills theory, uplifting two-loop four-point form factors to full functions and verifying antipodal self-duality at function level. The thesis also presents numerical relativity studies of dark matter environmental effects around black holes, including coupled Einstein-Proca-magnetohydrodynamics simulations that study accretion flow interacting with superradiant dark photon clouds and gravitational friction from scalar dark matter. These computational advances extend precision calculations in gauge theory and numerical studies predicting observable dark matter signatures.