Srinivasan S. Iyengar

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Indiana State University

United States

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Recent Grants

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Ab initio molecular dynamics with quantum nuclear effects: potential surfaces and gradients from on-the-fly fragment based electronic structure methods

Open Date: 2017-08-01

Close Date: 2020-07-31

Grant: Close

Development and application of Quantum wavepacket ab initio molecular dynamics for study of vibrational properties in hydrogen bonded systems

Open Date: 2011-08-01

Close Date: 2016-07-31

Grant: Close

Quantum wavepacket ab initio dynamical studies of hydrogen transfer catalysis in

Open Date: 2009-08-01

Close Date: 2013-07-31

Grant: Close

Development and application of Quantum wavepacket ab initio molecular dynamics for study of vibrational properties in hydrogen bonded systems

Open Date: 2008-02-01

Close Date: 2011-01-31

Grant: Close

Quantum non-adiabatic dynamical methodologies for enzyme reactions

Open Date: 2006-08-01

Close Date: 2009-07-31

Articles (17)

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2025

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2024

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2023

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2022

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2022

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2022

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2021

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2021

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2021

Collaborators (6)

Amr Sabry

Professor

Indiana University Bloomington

UNITED STATES

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H. Bernhard Schlegel

Professor

Wayne State University

UNITED STATES

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Gaëtan Lévêque

Associate Professor

Université Lille 1 - Sciences et Technologies

FRANCE

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Abdellatif Akjouj

Professeur des universités

Université de Lille

FRANCE

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Isaiah Sumner

James Madison University

UNITED STATES

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Sabre Kais

Purdue University

UNITED STATES

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Srinivasan S. Iyengar

Research Interests

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Contact this professor

Recent Grants

Articles (17)

Quantum Circuit and Mapping Algorithms for Wavepacket Dynamics: Case Study of Anharmonic Hydrogen Bonds in Protonated and Hydroxide Water Clusters

Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics

Quantum Nuclear Dynamics on a Distributed Set of Ion-Trap Quantum Computing Systems

Resource Optimization for Quantum Dynamics with Tensor Networks: Quantum and Classical Algorithms

Reformulation of All ONIOM-Type Molecular Fragmentation Approaches and Many-Body Theories Using Graph-Theory-Based Projection Operators: Applications to Dynamics, Molecular Potential Surfaces, Machine Learning, and Quantum Computing

Theoretical Study of Gold Nanoparticles Randomly Dispersed on a Dielectric/Gold Substrate

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

Analogy between Boltzmann Machines and Feynman Path Integrals

Synthesis of Hidden Subgroup Quantum Algorithms and Quantum Chemical Dynamics

Quantum Computing with Dartboards

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

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

Graph Theoretic Molecular Fragmentation for Multidimensional Potential Energy Surfaces Yield an Adaptive and General Transfer Machine Learning Protocol

Graph-|Q⟩⟨C|, a Graph-Based Quantum/Classical Algorithm for Efficient Electronic Structure on Hybrid Quantum/Classical Hardware Systems: Improved Quantum Circuit Depth Performance

Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators

Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions

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

Collaborators (6)

Amr Sabry

H. Bernhard Schlegel

Gaëtan Lévêque

Abdellatif Akjouj

Isaiah Sumner

Sabre Kais

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