13 papers
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…
The two-particle density matrix of a Luttinger liquid
Harini Radhakrishnan, Matthias Thamm, Hatem Barghathi +2
The paper derives an exact finite-size formula for the equal-time two‑particle reduced density matrix of spinless fermions in a Tomonaga‑Luttinger liquid, revealing how its decay a…
Compact Spin-Charge Separated Neural Quantum States for Valence-Bond States
Ang-Kun Wu, Louis Primeau, Yixin Zhang +3
Neural-network quantum states (NQS) provide a flexible nonlinear representation of quantum many-body wavefunctions, but their efficiency depends sensitively on whether the architec…
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)…
Non-covalent Interactions at cm Accuracy: Data Efficient Physics-Informed Distillation for Machine Learning Interatomic Potentials
Yulin Shen, Shahzad Akram, Louis Primeau +4
Foundation models in atomistic machine learning encode interaction physics across diverse atomic environments, but whether that structure can be transferred when building specialis…