12 citations · 13 across the 8 of their papers we have counts for
4 papers · 1 filter
Interface Engineering of Helium Confinement in Argon-Preplated MCM-41 Nanopores
Rahul Soni, Nathan S. Nichols, Sutirtha Paul +3
Atomic-scale modification of mesopore interfaces provides a route to tune the confinement experienced by adsorbed fluids, but how a specific interface preparation translates into t…
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…
Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise
Arpan Biswas, Sutirtha Paul, Joseph Agada +2
Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC)…
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…