Source: https://srmap.edu.in/faculty/dr-mahesh-kumar-ravva/
Timestamp: 2019-04-20 15:18:14+00:00

Document:
Oct, 2017 to Present, Assistant Professor | SRM University-AP, Amaravati, India.
2014 to 2017, Postdoctoral Research Associate | King Abdullah University of Science and Technology, Saudi Arabia.
2013 to 2014, Postdoctoral Research Associate | Georgia Institute of Technology, USA.
My research work mainly focuses on computational materials science, that is, I use electronic structure methods as a tool to investigate the electronic properties of novel functional materials. My research activities directed towards the design and development of novel molecules and materials for organic electronic devices. Besides, I am also studying the nature of weak interactions in prototype molecular systems to determine their strength.
Mandal, M. Prakash, R. Mahesh Kumar, R. Parthasarathi, and V. Subramanian.Ab Initio and DFT Studies on Methanol Water Clusters. J. Phys. Chem. A 2010, 114, 2250–2258.
Karthik Kumar, R. Mahesh Kumar, V. Subramanian, T. Mohan Das. Expedient synthesis of coumarin-coupled triazoles via ‘click chemistry’ leading to the formation of coumarin–triazole–sugar hybrids. Carbohyd. Research 2010, 345, 2297–2304.
Mahesh Kumar, M. Elango, and V. Subramanian. Carbohydrate-Aromatic Interactions: The Role of Curvature on XH∙∙∙π Interactions. J. Phys. Chem. A 2010, 114, 4313–4324.
Vijayaraj, S. Sundar Raman, R. Mahesh Kumar, and V. Subramanian. Studies on the Structure and Stability of Cyclic Peptide Based Nanotubes Using Oligomeric Approach: A Computational Chemistry Investigation. J. Phys. Chem. B 2010, 114, 16574–16583.
R Mahesh Kumar, V Subramanian, Quantum Mechanical Studies on Interaction of Carbohydrate with Nanomaterials. J. Biomed. Nanotechnol. 2011, 7,188-190.
Mahesh Kumar, V. Subramanian, Interaction of H2 with fragments of MOF-5 and its implications for the design and development of new MOFs: A computational study. Int. J. Hydrogen Energ. 2011, 36, 10737–10747.
Mahesh Kumar, M. Elango, R. Parthasarathi, and V. Subramanian, Density Functional Theory Studies on Ice Nanotubes. J. Phys. Chem. A, 2011, 115, 12841–12851.
Mahesh Kumar, M. Elango, R. Parthasarathi, D. Vijay and V. Subramanian, The Role of C–H...π Interaction in the Stabilization of Benzene and Adamantane Clusters. J. Chem. Sci. 2012, 124, 193–202.
Balamurugan, Prathab Baskar, R. Mahesh Kumar, Sumitesh Das, and V. Subramanian, Interaction of Carbon Nanotube with Ethylene Glycol−Water Binary Mixture: A Molecular Dynamics and Density Functional Theory Investigation. J. Phys. Chem. C 2012, 116, 4365–4373.
Gopalsamy, M. Prakash, R. Mahesh Kumar, V. Subramanian, Density functional studies on the hydrogen storage capacity of boranes and alanes based cages. Int. J. Hydrogen Energ. 2012, 37, 9730–9741.
Mahesh Kumar, Prathab Baskar, K. Balamurugan, Sumitesh Das, and V. Subramanian. On the Perturbation of the H-Bonding Interaction in Ethylene Glycol Clusters upon Hydration. J. Phys. Chem. A 2012, 116, 4239-4247.
Ravinder, R. Mahesh Kumar, and V. Subramanian, Studies on the Encapsulation of F− in Single Walled Nanotubes of Diﬀerent Chiralities Using Density Functional Theory Calculations and Car−Parrinello Molecular Dynamics Simulations. J. Phys. Chem. A 2012, 116, 5519-5528.
Mahesh Kumar, J. Vijay Sundar and V. Subramanian, Improving the hydrogen storage capacity of metal organic framework by chemical functionalization. Int. J. Hydrogen Energ. 2012, 37, 16070-16077.
Mahesh Kumar, Prathab Baskar, K. Balamurugan, Sumitesh Das, and V. Subramanian, Interaction of ethylene glycol–water clusters with aromatic surfaces. RSC Adv., 2013, 3, 7798-7807.
Sudip Pan, Sukanta Mondal, R. Mahesh Kumar, V. Subramanian, Gabriel Merino, and Pratim K. Chattaraj, Structure and Stability of NgnCN3Be3+ Clusters and Comparison with NgBeY0/+ (Ng=Noble Gas and Y=O, S, Se, Te). Chem. Phys. Chem. 2013, 14, 2511-2517.
Ammu Mathew, Ganapati Natarajan, Lauri Lehtovaara, Hannu Hakkinen, R. Mahesh Kumar, Venkatesan Subramanian, Abdul Jaleel, Thalappil Pradeep. Supramolecular Functionalization and Concomitant Enhancement in Properties of Au25 Clusters. ACS nano, 2014, 8, 139-152.
K Balamurugan, P Baskar, R. Mahesh Kumar, S Das, V Subramanian. Effects of functionalization of carbon nanotubes on their dispersion in an ethylene glycol–water binary mixture–a molecular dynamics and ONIOM investigation. Phys. Chem. Chem. Phys., 2014, 16, 24509-24518.
Min Li, Haitao Wang, Fuquan Bai, Xiaoshi Jia, Di Cao, Ravva Mahesh Kumar, Jean-luc Bredas, Songnan Qu, Binlian Bai and Hong-Xing Zhang. Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivative. RSC Adv., 2014, 4, 51942-51949.
Min Li, Haitao Wang, Fangyi Chen, Xiaoshi Jia, Huimin Liu, Xia Ran, Mahesh Kumar Ravva, Fuquan Bai; Songnan Qu, Hong-Xing Zhang, Jean-Luc Bredas. Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivative.J. Mater. Chem. C, 2015,3, 11681-11688.
Tonghui Wang, Mahesh Kumar Ravva, and Jean-Luc Brédas. Impact of the Nature of the Side-Chains on the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells. Adv. Funct. Mater. 2016, 26, 5913-5921.
Khanh Do, Qasim Saleem, Mahesh Kumar Ravva, Federico Cruciani, Zhipeng Kan, Jannic Wolf, Michael Ryan Hansen, Pierre M. Beaujuge, and Jean-Luc Brédas. Impact of Fluorine Substituents on π-Conjugated Polymer Main-Chain Conformations, Packing, and Electronic Couplings. Adv.Mater. 2016, 28, 8197-8205.
Xian-Kai Chen, Mahesh Kumar Ravva, Hong Li, Sean M. Ryno, and Jean-Luc Brédas Effect of molecular packing and charge delocalization on the non-radiative recombination of charge-transfer states in organic solar cells Adv. Energy Mater. 2016, 6, 1601325.
Sean M. Ryno, Mahesh Kumar Ravva, Xiankai Chen, Haoyuan Li, and Jean-Luc Brédas Molecular Understanding of Fullerene – Polymer or Oligomer Interactions in Organic Solar Cells. Adv. Energy Mater. 2016, 7, 1601370.
Mahesh Kumar Ravva, Tonghui Wang, and Jean-Luc Brédas. Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells. Chem. Mater. 2016, 28, 8181.
Matthew Menke, Aditya Sadhanala, Mark Nikolka, Niva A. Ran, Mahesh Kumar Ravva, Safwat Abdel-Azeim, Hannah L. Stern, Ming Wang, Henning Sirringhaus, Thuc-Quyen Nguyen, Jean-Luc Brédas, Guillermo C. Bazan, and Richard H. Friend Limits for Recombination in a Low Energy Loss Organic Heterojunction ACS Nano, 2016, 10, 10736.
Mark Nikolka, Iyad Nasrallah, Bradley Rose, Mahesh Kumar Ravva, Katharina Broch, David Harkin, Jerome Charmet, Michael Hurhangee, Adam Brown, Steffen Illig, Patrick Too, Jan Jongman, Iain McCulloch, Jean-Luc Bredas and Henning Sirringhaus High operational and environmental stability of high-mobility conjugated polymer field-effect transistors achieved through the use of molecular additives Nature Materials, 2017, 16, 356-362.
Jianyu Yuan, Niva A Ran, Michael J Ford, Ming Wang, Mahesh Kumar Ravva, Cheng-Kang Mai, Xiaofeng Liu, Jean-Luc Brédas, Thuc-Quyen Nguyen, Wanli Ma, Guillermo C Bazan Structural variations to a donor polymer with low energy lossesJournal of Materials Chemistry A, 2017, 5, 18618-18626.
R. Mahesh Kumar, D. Vijay and G. N. Sastry and V. Subramanian. Concepts and Methods in Modern Theoretical Chemistry, Two volume Set, Ed by S. K. Ghosh; P. K. Chattaraj, CRC Press Taylor and Francis Group, 2013, ISBN 9781466506237.
Mahesh Kumar Ravva, Chad Risko, and Jean-Luc Brédas. Noncovalent Interactions in Organic Electronic Materials (Accepted), Elsevier publications.

References: V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V.