Keya Basu Ghose

Enhancing prediction of electron affinity and ionization energy in liquid organic electrolytes for lithium-ion batteries using machine learning

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**

State-selective multireference coupled-cluster theory: In pursuit of property calculation

Improved computational strategy for the state-selective coupled-cluster theory with semi-internal triexcited clusters: Potential energy surface of the HF molecule