Timothy C. Ricard

An efficient and accurate approach to estimate hybrid functional and large basis set contributions to condensed phase systems and molecule-surface interactions.

S. Iyengar, Timothy C. Ricard, 2020, Journal of chemical theory and computation.

Embedded, graph‐theoretically defined many‐body approximations for wavefunction‐in‐DFT and DFT‐in‐DFT : Applications to gas‐ and condensed‐phase ab initio molecular dynamics, and potential surfaces for quantum nuclear effects

S. Iyengar, Timothy C. Ricard, Anup Kumar, 2020 .

Adaptive, Geometric Networks for Efficient Coarse-Grained Ab Initio Molecular Dynamics with Post-Hartree-Fock Accuracy.

S. Iyengar, Timothy C. Ricard, Cody Haycraft, 2018, Journal of chemical theory and computation.

Graph-Theoretic Molecular Fragmentation for Potential Surfaces Leads Naturally to a Tensor Network Form and Allows Accurate and Efficient Quantum Nuclear Dynamics.

S. Iyengar, Nicole DeGregorio, Timothy C. Ricard, 2022, Journal of chemical theory and computation.

Efficiently Capturing Weak Interactions in ab Initio Molecular Dynamics with on-the-Fly Basis Set Extrapolation.

S. Iyengar, Timothy C. Ricard, 2018, Journal of chemical theory and computation.

Weighted-Graph-Theoretic Methods for Many-Body Corrections within ONIOM: Smooth AIMD and the Role of High-Order Many-Body Terms.

S. Iyengar, Timothy C. Ricard, Cody Haycraft, 2021, Journal of chemical theory and computation.

Graph-|Q⟩⟨C|: A Quantum Algorithm with Reduced Quantum Circuit Depth for Electronic Structure.

Timothy C. Ricard, S. Iyengar, Juncheng Harry Zhang, 2023, The journal of physical chemistry. A.

Capturing Weak Interactions in Surface Adsorbate Systems at Coupled Cluster Accuracy: A Graph-Theoretic Molecular Fragmentation Approach Improved through Machine Learning.

Timothy C. Ricard, S. Iyengar, Xiao Zhu, 2023, Journal of chemical theory and computation.

Quantum Algorithms for the Study of Electronic Structure and Molecular Dynamics: Novel Computational Protocols

S. Iyengar, Timothy C. Ricard, Anup Kumar, 2022 .