Publication & Conferences

[1] K.Ramakrishnan, S.K Nori, S.C Lee, G.P Das, S. Bhattacharjee, P. Motamarri Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory Calculations, Journal of Chemical Theory and Computation, 19, 4216–4231 (2023)

[2] K. Ramakrishnan, S. Das, P. Motamarri  Fast and scalable finite-element based approach for density functional theory calculations using projector-augmented wave method, Phys Rev. B 111, 035101

[3] K. Ramakrishnan, S.G Gopalakrishnan, P. Motamarri Ab initio modelling of external potential difference in gapped materials using DFT with aperiodic boundary conditions (under preparation)

[4] N. Kodali, K. Ramakrishnan, P. Motamarri  Residual-based subspace iteration eigensolver: A reformulated Chebyshev-filtering strategy leveraging efficient approximate matrix-vector products (under preparation)

[5] K. Ramakrishnan, P. Motamarri A GPU accelerated finite element code using PAW formalism for large scale DFT calculations (under preparation)

[6] K. Ramakrishnan, P. Motamarri Configurational force approach for ionic forces and stresses using PAW-based DFT calculations (forthcoming)

[1] Kartick Ramakrishnan, Phani Motamarri*: Real-space finite element based DFT calculations: applications to energy storage: APS satellite meetings at ICTS , March 2022 (YoutubeLink )

[2] Kartick Ramakrishnan, Phani Motamarri*: Large-scale finite-element based DFT calculations : Application to energy storage devices: PSI-K 2022 at Lausanne Switzerland,  Aug 2022

[3] Kartick Ramakrishnan, Phani Motamarri*: Scalable finite-element based computational methodologies for quantum modelling of materials: Applications to energy storage: CDS Alumni meet, Dec 2022

[4] Kartick Ramakrishnan, Phani Motamarri*: Efficient and scalable finite-element based computational methodologies for large-scale ab-initio modelling of energy storage materials: SIAM CSE at Amsterdam, Feb 2023

[5] Kartick Ramakrishnan, Phani Motamarri*: Unlocking the potential of quantum modelling of materials for energy-storage  using fast and accurate real-space finite-element based methodologies: CDS Expo, Aug 2023

[6] Kartick Ramakrishnan,  Sambit Das, Phani Motamarri*:  Real space finite-element formulation of Projector Augmented Wave (PAW) formalism, APS March 2024, March 2024

[7] Kartick Ramakrishnan, Phani Motamarri*: Unlocking the potential of ab initio modelling of materials: Real space finite-element based methods for projector augmented wave formalism in density functional theory, SIAM MS'24 Pittsburgh USA May 2024 

[8] Kartick Ramakrishnan, Phani Motamarri*:  PAW-DFT-FE: Fast and scalable finite-element based approach for DFT calculations using projector-augmented wave method, DFT@60 conference, IIT Mandi, July 2024