Lectures and books for beginner to approach learning simulations

I’m an incoming undergrad with a math background up to single-variable calculus, but reasonably strong programming background through algorithms, data structures, web and mobile app development. Broadly, I’m really interested in learning to simulate molecular systems and game physics, etc, but have never simulated anything before. I’d also like what I learn to be transferrable to financial markets, climate models, etc–so really focusing on principles of simulation, analysis and motivation behind simulation algorithms, limits of simulations, and more.

I’ve gone through MIT OCW 6.0002, and spent some time learning about random walks and Monte Carlo methods, as well as frequenting a smattering of random pages on molecular dynamics, but I’d really appreciate some structured, motivated resources for an absolute beginner with a programming background to learn about using programming to simulate things.