K. Bhaskaran-Nair

发表

Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations.

Marat Valiev, Karol Kowalski, Kiran Bhaskaran-Nair, 2015, The Journal of chemical physics.

Coupled cluster Green function: Model involving single and double excitations.

K. Kowalski, K. Bhaskaran-Nair, W. Shelton, 2016, The Journal of chemical physics.

Thermodynamics of tetravalent thorium and uranium complexes from first-principles calculations.

E. Bylaska, W. D. de Jong, K. Bhaskaran-Nair, 2013, The journal of physical chemistry. A.

Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes

K. Kowalski, K. Bhaskaran-Nair, W. Shelton, 2015 .

NWChem: Past, present, and future.

T. Straatsma, V. Tipparaju, J. Nieplocha, 2020, The Journal of chemical physics.

Toward enabling large-scale open-shell equation-of-motion coupled cluster calculations: triplet states of β-carotene.

K. Kowalski, N. Govind, K. Bhaskaran-Nair, 2014, The journal of physical chemistry. A.

Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism.

Edoardo Aprà, Karol Kowalski, Jiří Pittner, 2012, The Journal of chemical physics.

Multireference coupled cluster study of the oxyallyl diradical

J. Pittner, K. Bhaskaran-Nair, Ondřej Demel, 2012 .

Petascale Simulations of the Morphology and the Molecular Interface of Bulk Heterojunctions.

Monojoy Goswami, B. Sumpter, K. Bhaskaran-Nair, 2016, ACS nano.

NWChem: Past, present, and future.

Jeffery S. Boschen, Nicholas P. Bauman, T. Straatsma, 2020, The Journal of chemical physics.

Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems.

R. W. Hall, K. Kowalski, K. Bhaskaran-Nair, 2015, The Journal of chemical physics.

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.

Oreste Villa, Wenjing Ma, Edoardo Aprà, 2013, Journal of chemical theory and computation.

Coupled Cluster Theories for Strongly Correlated Molecular Systems

Karol Kowalski, Jiří Pittner, Kiran Bhaskaran-Nair, 2013 .

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians.

K. Kowalski, K. Bhaskaran-Nair, W. Shelton, 2014, The Journal of chemical physics.

Multireference Mukherjee's coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications.

Kiran Bhaskaran-Nair, J. Pittner, K. Bhaskaran-Nair, 2010, The Journal of chemical physics.

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation.

Kiran Bhaskaran-Nair, J. Pittner, K. Bhaskaran-Nair, 2011, The Journal of chemical physics.

Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70.

Mark Jarrell, Karol Kowalski, Juana Moreno, 2014, The Journal of chemical physics.

Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations.

K. Kowalski, M. J. van Setten, M. Zwijnenburg, 2017, Journal of chemical theory and computation.

Perturbative Coupled‐Cluster Methods on Graphics Processing Units: Single‐ and Multi‐Reference Formulations

Sriram Krishnamoorthy, Antonino Tumeo, Oreste Villa, 2016 .

Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.

K. Kowalski, N. Govind, J. Pittner, 2012, The Journal of chemical physics.

Bridging single and multireference coupled cluster theories with universal state selective formalism.

Karol Kowalski, Kiran Bhaskaran-Nair, K. Kowalski, 2013, The Journal of chemical physics.

Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

K. Kowalski, H. V. Dam, J. Pittner, 2012 .

Uncoupled multireference state-specific Mukherjee's coupled cluster method with triexcitations.

Jiří Pittner, Kiran Bhaskaran-Nair, Ondřej Demel, 2010, The Journal of chemical physics.

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations.

Kiran Bhaskaran-Nair, K. Bhaskaran-Nair, Ondrej Demel, 2008, The Journal of chemical physics.

Mine Your Own vieW: Self-Supervised Learning Through Across-Sample Prediction pdf

Michal Valko, Eva L. Dyer, William Gray-Roncal, 2021, ArXiv.

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.

S. Krishnamoorthy, K. Kowalski, H. V. van Dam, 2013, Journal of chemical theory and computation.

Uncoupled multireference state-specific Mukherjee's coupled cluster method with triexcitations.

J. Pittner, K. Bhaskaran-Nair, Ondřej Demel, 2010, The Journal of chemical physics.