The Annual CCTCC Postponed

July 10, 2020July 10, 2020

The Annual 28th CCTCC has been postponed until further notice.

Please check back for further updates. Thank you.

Sep 10, 2021

Theoretical DFT Study on the Mechanisms of CO/CO2 Conversion in Chemical Looping Catalyzed by Calcium Ferrite

Jing Wang, Jiande Gu, Asif Rony, Maohong Fan,, Jerzy Leszczynski: Theoretical DFT Study on the Mechanisms of CO/CO2 Conversion in Chemical Looping Catalyzed by Calcium Ferrite. In: J. Phys. Chem. A , 125 (37), pp. 8159–8167, 2021. Read More

Sep 1, 2021

Preliminary Screening of COVID-19 Infection Employing Machine Learning Techniques From Simple Blood Profile

Anirudh Reddy Cingireddy, Robin Ghosh, Supratik Kar, Venkata Melapu, Sravanthi Joginipeli, Jerzy Leszczynski: Preliminary Screening of COVID-19 Infection Employing Machine Learning Techniques From Simple Blood Profile. In: Int J Quantum Struc Prop Rel , 6 (3), pp. 35-47, 2021. Read More

Jul 30, 2021

Chapter: QSAR and machine learning modeling of toxicity of nanomaterials: a risk assessment approach

Supratik Kar, Jerzy Leszczynski: Chapter: QSAR and machine learning modeling of toxicity of nanomaterials: a risk assessment approach. In: J. Njuguna K. Pielichowski, Zhu (Ed.): Chapter 16, pp. 417-441, WOODHEAD PUBLISHING, ELSEVIER, 2nd, 2021. Read More

May 13, 2021

Delving charge-transfer excitations in hybrid organic-inorganic hetero junction of dye-sensitized solar cell: Assessment of excitonic optical properties using the GW and Bethe-Salpeter Green’s function formalisms

P. Samanta, J. Leszczynski: Chapter: Delving charge-transfer excitations in hybrid organic-inorganic hetero junction of dye-sensitized solar cell: Assessment of excitonic optical properties using the GW and Bethe-Salpeter Green’s function formalisms. In: J. Roy S. Kar, Leszczynski (eds.) (Ed.): 32 , pp. 99-126, Springer, Cham, 2021, ISBN: 978-3-030-69445-6. Read More

May 13, 2021

Delving charge-transfer excitations in hybrid organic-inorganic hetero junction of dye-sensitized solar cell: Assessment of excitonic optical properties using the GW and Bethe-Salpeter Green’s function formalisms

May 13, 2021

Chapter: Delving charge-transfer excitations in hybrid organic-inorganic hetero junction of dye-sensitized solar cell: Assessment of excitonic optical properties using the GW and Bethe-Salpeter Green’s function formalisms

May 13, 2021

Chapter: Computational screening of organic dye-sensitizers for dye-sensitized solar cells: DFT/TDDFT approach

J. Roy, S. Kar, J. Leszczynski: Chapter: Computational screening of organic dye-sensitizers for dye-sensitized solar cells: DFT/TDDFT approach. In: J. Roy S. Kar, Leszczynski (eds.) (Ed.): 32 , pp. 187-206, Springer, Cham, 2021, ISBN: 978-3-030-69445-6. Read More

May 7, 2021

Chapter: Slater-Type Orbitals

Devashis Majumdar, Pabitra Narayan Samanta, Szczepan Roszak,, Jerzy Leszczynski: Chapter: Slater-Type Orbitals. In: Perlt, Eva (Ed.): 107 , Chapter 2, pp. 17-40, Springer, Cham., 2021, ISSN: 2192-6603. Read More