Method and system for determining optimal compute configuration for performing compute operations

A system and method for determining an optimal compute configuration for performing compute operations. The method includes defining one or more constraints for a given computational operation to be performed. The method further includes implementing a knowledge graph to determine at least one suitable combination of computing hardware and computing software based on the given computing operation and the defined one or more constraints therefor. The method further includes quantitatively estimating an energy demand of the determined at least one suitable combination and qualitatively estimating an energy consumption pattern of the determined at least one suitable combination. The method further includes performing a lifecycle assessment for execution of the given computing operation with the determined at least one suitable combination of computing hardware and computing software based on the quantitative estimate of energy demand and the qualitative estimate of energy consumption pattern, to determine an opt