YES! We use the EnergyPlus/OpenStudio for loadmodeling.tool which is the industry gold standard energy model.
In the early stage, you can also use the quick Baseline calculation that runs the ISO 13790 to iteratively test concepts to ensure the design will get the deduction. A design team needs to figure out which reduction would allow you to achieve the percentage reduction for each qualifying category. It is much easier to do this in the early stage of the project when you can run hundreds of models using machine learning to reduce the cost and maximize the energy savings. See here for how to run an optimization in cove.tool.
Below is a summary of the areas you can work on to maximize the tax credit. Play with these categories in the optimization.
For more information from the US Department of Energy see here: https://www.energy.gov/eere/buildings/179d-commercial-buildings-energy-efficiency-tax-deduction