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Group Posters

Group Posters

Department of Chemistry | IU Quantum Science

Iyengar Group

Theoretical and Computational Chemistry and Chemical Physics

Group Posters

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Fragment based ab initio molecular dynamics from simplectic decomposition of molecular structure: post-Hartree-Fock accuracy at DFT cost for AIMD and potential surface calculations

The Iyengar Group Recruiting poster: arch 2020

Quantum dynamics in open systems

Quantum Dynamics Poster

Study of energy flow using ab initio molecular dynamics: application to OH radical adducts in gas phase and adsorbed on aerosols

Study of Energy Flow Poster

New Insights into Hydrogen Tunneling in Soybean Lipoxygeanse-1 using Quantum Wavepacket ab initio molecular dynamics

Dynamically averaged vibrational spectroscopy of protonated and hydroxide water clusters: Insights from ab initio molecular dynamics