Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization
Z. Smith, D. Pramanik, S.-T. Tsai, P. Tiwary
This paper extends the SGOOP method to construct multi-dimensional reaction coordinates by using conditional probability factorization, demonstrating its effectiveness in simulating complex molecular systems.
bioRxiv · Oct 10, 2018Biophysics