Statistical Mechanics: Theory and Molecular Simulation by Tuckerman

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This is my favorite statistical mechanics book by miles.

It is advanced and very modern. Each chapter intertwines theory and computational, so the chapter on, say, the microcanonical ensemble also covers molecular dynamics. There is a separate chapter on monte carlo simulations. He has an appendix on ewald summations and particle mesh ewald as well as a proof of Trotter's theorem.