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physics.chem-ph2026
Bosonic Condensed Phase Real-time Dynamics from Ring Polymer Molecular Dynamics
Yotam M. Y. Feldman, Sourav Karmakar, Sutirtha Paul +3
We present a method for approximating real-time correlation functions and quantum transport coefficients of bosonic condensed phases. The direct evaluation of quantum real-time cor…
physics.chem-ph2026
Accurate Helium-Benzene Potential: from CCSD(T) to Gaussian Process Regression
Shahzad Akram, Sutirtha Paul, Collin Kovacs +3
The accurate modeling of non-covalent interactions between helium and graphitic materials is important for understanding quantum phenomena in reduced dimensions, with the helium-be…