Saikiran Kotaru

5PUBLICATIONS
11CO-AUTHORS
Theoretical quantum chemistrySurface water hydrologyMathematical aspects of quantum and conformal field theory, quantum gravity and string theoryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|Jun 04, 2026
VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned Potential.

|Jan 07, 2026
New Permutationally Invariant Polynomial Potential Energy Surfaces for H5O2+ with Fast Analytical Gradients Calculated Using Reverse Differentiation.

Saikiran Kotaru, Chen Qu, Paul L Houston

|Dec 22, 2022
Spin-orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations.

Saikiran Kotaru, Pavel Pokhilko, Anna I Krylov

|Jun 14, 2022
Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians.

Saikiran Kotaru, Sven Kähler, Maristella Alessio

|Jun 27, 2017
Ligand-induced conformational preorganization of loops of c-MYC G-quadruplex DNA and its implications in structure-specific drug design.

S Harikrishna, Saikiran Kotaru, P I Pradeepkumar

Pageof 1

Frequent Collaborators

2 joint publications

Anna I Krylov

2 joint publications

Chen Qu

2 joint publications

Paul L Houston

2 joint publications

Apurba Nandi