Survey of adaptive biasing potentials: comparisons and outlook.

摘要: Adaptive biasing potentials are becoming a standard tool of the trade for problems in chemistry, material science, biology, and drug discovery. These methods easy to use, distribute, reliable, make otherwise impossible simulations possible. In this review we survey number adaptive bias potentials, take critical look at how they work. The biases fall into two basic classes, each having distinct attributes levels complexity. vantage point from which discussed has only emerged last couple years, allows unified treatment all biases. We conclude with remarks about computational efficiency biases, is largely overlooked current literature.