Yihan Shao to Molecular Dynamics Simulation
This is a "connection" page, showing publications Yihan Shao has written about Molecular Dynamics Simulation.
Connection Strength
0.378
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Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations. Phys Chem Chem Phys. 2022 Oct 27; 24(41):25134-25143.
Score: 0.195
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Efficient Computation of Free Energy Surfaces of Diels?Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level. Molecules. 2018 Sep 28; 23(10).
Score: 0.147
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Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters. Molecules. 2018 Sep 26; 23(10).
Score: 0.037