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Insights from advanced methods in molecular dynamics
Molecular dynamics (MD) simulations are nowadays routinely used to complement experimental results and to predict properties or behaviours of myriad systems. Recent advances on the development of algorithms and potentials have broadened the applicability of MD calculations. This issue of PCCP aims to highlight the new insights and applications that have been enabled by the use of advanced MD techniques and potentials. The issue is guest-edited by G. Andres Cisneros (Wayne State University), Haiyan Liu (University of Science & Technology of China), Jean-Philip Piquemal (Sorbonne Université) and Pengyu Ren (University of Texas at Austin).