57 citations · 164 across the 6 of their papers we have counts for
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stat.ME2013★ 30 cited
Combine Umbrella Sampling with Integrated Tempering Method for Efficient and Accurate Calculation of Free Energy Changes of Complex Energy Surface
Mingjun Yang, Lijiang Yang, Yiqin Gao +1
Umbrella sampling is an efficient method for the calculation of free energy changes of a system along well-defined reaction coordinates. However, when multiple parallel channels al…
physics.comp-ph2013★ 14 cited
Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
Peng Zhao, Li Jiang Yang, Yi Qin Gao +1
Integrated tempering sampling (ITS) method is an approach to enhance the sampling over a broad range of energies and temperatures in computer simulations. In this paper, a new vers…