Water is one of the most ubiquitous substances in the universe. Despite long study from both experimental and theoretical approaches, phenomena associated with liquid water and its coupling to other systems continues to be a source of rather rich and interesting physics. In this talk, I will discuss how computational studies play an important role in probing both the structure and dynamics of water in different environments. I will motivate the discussion by briefly talking about water near the vicinity of proteins and the coupling between protein and water motions. I will then move onto some more recent work on trying to understand water as a hydrogen bond network and its subsequent role on processes like proton transfer in liquid water and anomalous water diffusion around ions like CsI and NaCl. I will also briefly touch on the role of nuclear quantum effects in altering the structural and electronic properties of water and its constituent ions.
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