Publications

Peer-reviewed articles, preprints and conference presentations. Citation counts and the latest additions are on my Google Scholar profile.

Journal Articles 20

• Intercalation of Bi₂S₃–graphene into MXene nanosheets: a novel strategy for enhanced thermoelectric performance
  R. B. Shivani, J. Mani, J. Balachandran, J. Kasthuri, R. Mohan Kumar
  Journal of Materials Science: Materials in Electronics, 36(22), 1371 (2025)
  DOI
• Multilayer graphene coated vanadium(V) oxide as electrodes for intercalation based brackish water desalination
  A. Baburaj, A. B. Puthirath, A. Jain, D. Palanisamy, D. Salpekar, J. Balachandran, M. A. Kabbani, F. C. Robles Hernandez, G. Hughes, G. Babu, P. M. Ajayan
  2D Materials, 7(4), 045025 (2020)
  DOI
• Machine learning constrained with dimensional analysis and scaling laws: simple, transferable, and interpretable models of materials from small datasets
  N. Kumar, P. Rajagopalan, P. Pankajakshan, A. Bhattacharyya, S. Sanyal, J. Balachandran, U. V. Waghmare
  Chemistry of Materials, 31(2), 314–321 (2019)
  Featured in Chem. Mater. virtual issue on ML discoveries
  DOI
• Ultrasonic sonochemical synthesis of Na_0.44MnO₂ insertion material for sodium-ion batteries
  G. S. Shinde, P. D. Nayak, S. P. Vanam, S. K. Jain, A. D. Pathak, S. Sanyal, J. Balachandran, P. Barpanda
  Journal of Power Sources, 416, 50–55 (2019)
  DOI
• The influence of local distortions on proton mobility in acceptor doped perovskites
  J. Ding, J. Balachandran, X. Sang, W. Guo, J. S. Anchell, G. M. Veith, C. A. Bridges, Y. Cheng, C. M. Rouleau, J. D. Poplawsky, N. Bassiri-Gharb, R. R. Unocic, P. Ganesh
  Chemistry of Materials, 30(15), 4919–4925 (2018)
  DOI
• Nanoscale control of oxygen defects and metal–insulator transition in epitaxial vanadium dioxides
  Y. Sharma, J. Balachandran, C. Sohn, J. T. Krogel, P. Ganesh, L. Collins, A. V. Ievlev, Q. Li, X. Gao, N. Balke, O. S. Ovchinnikova, S. V. Kalinin, O. Heinonen, H. N. Lee
  ACS Nano, 12(7), 7159–7166 (2018)
  DOI
• Data mining for better material synthesis: The case of pulsed laser deposition of complex oxides
  S. R. Young, A. Maksov, M. Ziatdinov, Y. Cao, M. Burch, J. Balachandran, L. Li, S. Somnath, R. M. Patton, S. V. Kalinin, R. K. Vasudevan
  Journal of Applied Physics, 123(11) (2018)
  DOI
• Influence of nonstoichiometry on proton conductivity in thin-film yttrium-doped barium zirconate
  J. Ding, J. Balachandran, X. Sang, W. Guo, G. M. Veith, C. A. Bridges, C. M. Rouleau, J. D. Poplawsky, N. Bassiri-Gharb, P. Ganesh, R. R. Unocic
  ACS Applied Materials & Interfaces, 10(5), 4816–4823 (2018)
  DOI
• Defect genome of cubic perovskites for fuel cell applications
  J. Balachandran, L. Lin, J. S. Anchell, C. A. Bridges, P. Ganesh
  The Journal of Physical Chemistry C, 121(48), 26637–26647 (2017)
  DOI
• Electronic properties of doped and defective NiO: A quantum Monte Carlo study
  H. Shin, Y. Luo, P. Ganesh, J. Balachandran, J. T. Krogel, P. R. C. Kent, A. Benali, O. Heinonen
  Physical Review Materials, 1(7), 073603 (2017)
  DOI
• Accuracy of ab initio electron correlation and electron densities in vanadium dioxide
  I. Kylänpää, J. Balachandran, P. Ganesh, O. Heinonen, P. R. C. Kent, J. T. Krogel
  Physical Review Materials, 1(6), 065408 (2017)
  DOI
• The influence of the local structure on proton transport in a solid oxide proton conductor La_0.8Ba_1.2GaO_3.9
  Y. Cheng, J. Balachandran, Z. Bi, C. A. Bridges, M. P. Paranthaman, L. L. Daemen, P. Ganesh, N. Jalarvo
  Journal of Materials Chemistry A, 5(30), 15507–15511 (2017)
  DOI
• Li-ion site disorder driven superionic conductivity in solid electrolytes: a first-principles investigation of β-Li₃PS₄
  G. K. P. Dathar, J. Balachandran, P. R. C. Kent, A. J. Rondinone, P. Ganesh
  Journal of Materials Chemistry A, 5(3), 1153–1159 (2017)
  DOI
• End-group influence on frontier molecular orbital reorganization and thermoelectric properties of molecular junctions
  J. Balachandran, P. Reddy, B. D. Dunietz, V. Gavini
  The Journal of Physical Chemistry Letters, 4(22), 3825–3833 (2013)
  DOI
• End-group-induced charge transfer in molecular junctions: effect on electronic-structure and thermopower
  J. Balachandran, P. Reddy, B. D. Dunietz, V. Gavini
  The Journal of Physical Chemistry Letters, 3(15), 1962–1967 (2012)
  DOI
• Length dependence of frontier orbital alignment in aromatic molecular junctions
  A. Tan, J. Balachandran, B. D. Dunietz, S.-Y. Jang, V. Gavini, P. Reddy
  Applied Physics Letters, 101(24) (2012)
  DOI
• Effect of length and contact chemistry on the electronic structure and thermoelectric properties of molecular junctions
  A. Tan, J. Balachandran, S. Sadat, V. Gavini, B. D. Dunietz, S.-Y. Jang, P. Reddy
  Journal of the American Chemical Society, 133(23), 8838–8841 (2011)
  DOI
• Mass transfer effects on isothermal vertical oscillating plate in the presence of chemical reaction
  R. Muthucumaraswamy, B. Janakiraman
  International Journal of Applied Mathematics and Mechanics, 4(1), 66–74 (2008)
• Diffusion and thermal radiation effects on isothermal vertical oscillating plate
  R. Muthucumaraswamy, B. Janakiraman
  International Journal of Applied Mechanics and Engineering, 12(4), 1093–1101 (2007)
• MHD and radiation effects on moving isothermal vertical plate with variable mass diffusion
  R. Muthucumaraswamy, B. Janakiraman
  Theoretical and Applied Mechanics, 33(1), 17–29 (2006)
  DOI

Preprints & Workshop Papers 2

• Potential energy surface prediction of alumina polymorphs using graph neural network
  S. Sanyal, A. K. Sagotra, N. Kumar, S. Rathi, M. Krishna, N. Somayajula, D. Palanisamy, R. R. Ratnakar, S. Sanyal, P. Talukdar, U. Waghmare, J. Balachandran
  arXiv preprint (2023)
  arXiv
• MT-CGCNN: Integrating crystal graph convolutional neural network with multitask learning for material property prediction
  S. Sanyal, J. Balachandran, N. Yadati, A. Kumar, P. Rajagopalan, S. Sanyal, P. Talukdar
  NeurIPS 2018 Workshop on Machine Learning for Molecules and Materials (2018)
  NeurIPS Workshop
  arXiv

Conference Abstracts & Presentations 21

• Multi-modal characterization approach to understand proton transport mechanisms in solid oxide fuel cells
  R. R. Unocic, J. Ding, J. Balachandran, X. Sang, W. Guo, J. D. Poplawsky, G. M. Veith, C. A. Bridges, N. Bassiri-Gharb, P. Ganesh
  Microscopy and Microanalysis, 25(S2), 2048–2049 (2019)
  DOI
• (Invited) Modeling at multiple scales for development of future energy storage technologies
  R. M. Stephens, J. Balachandran, I. Rudra, S. Maheshwari, F. Thakkar, S. Bonakala, G. Verbist, R. Ratnakar
  ECS Meeting Abstracts, MA2019-01(22), 1130 (2019)
  DOI
• Molecular dynamics simulations of ion transport in poly-ethylene oxide
  S. Maheshwari, F. Thakkar, J. Balachandran, S. Sanyal, N. P. Balsara
  ECS Meeting Abstracts (IBA 2019), 256 (2019)
• Influence of strain on VO₂ stoichiometry and its metal–insulator transition
  P. Ganesh, J. Balachandran, Y. Sharma, I. Kylänpää, J. Krogel, H. N. Lee, et al.
  APS March Meeting (2018)
• DFT density errors in vanadium dioxide analyzed by quantum Monte Carlo
  I. Kylänpää, J. Balachandran, P. Ganesh, O. Heinonen, P. Kent, J. Krogel
  APS March Meeting (2018)
• Electronic properties of doped and defective NiO: perspectives from quantum Monte Carlo and density functional theory
  O. Heinonen, H. Shin, Y. Luo, P. Ganesh, J. Balachandran, J. Krogel, et al.
  APS March Meeting (2018)
• Influence of electro-chemo-mechanical coupling on the metal–insulator transition in VO₂
  J. Balachandran, P. Ganesh, J. Krogel, H. N. Lee, P. Kent, O. Heinonen
  APS March Meeting (2017)
• Quantum Monte Carlo study of a K-doped NiO Mott insulator
  A. Benali, H. Shin, Y. Luo, J. Krogel, P. Ganesh, J. Balachandran, P. Kent, et al.
  APS March Meeting (2017)
• Systematic study of the electronic structure of a doped Mott insulator
  P. Ganesh, J. Balachandran, Y. Luo, H. Shin, A. Benali, P. R. C. Kent, et al.
  APS March Meeting (2017)
• Quantum Monte Carlo study of the oxygen vacancy in vanadium dioxide
  J. Krogel, et al.
  APS March Meeting (2017)
• On the design and development of ion conducting oxides
  C. A. Bridges, J. Balachandran, N. Jalarvo, Y. Cheng, J. Ding, L. Lin, G. M. Veith, et al.
  Acta Crystallographica A, 73, A323 (2017)
• Multi-modal approach to understand proton transport mechanisms in Y-doped barium zirconate
  R. Unocic, J. Ding, J. Balachandran, X. Sang, W. Guo, J. Anchell, G. Veith, et al.
  ACS National Meeting, Abstracts of Papers, 254 (2017)
• Neutron scattering studies on atomic-scale proton diffusion processes in a solid oxide electrolyte
  N. Jalarvo, Y. Cheng, J. Balachandran, P. Ganesh, C. Bridges, et al.
  ACS National Meeting, Abstracts of Papers, 253 (2017)
• Atomic resolution distortion analysis of yttrium-doped barium zirconate
  J. Ding, X. Sang, J. Balachandran, N. Bassiri-Gharb, P. Ganesh, R. R. Unocic
  Microscopy and Microanalysis, 22(S3), 910–911 (2016)
  DOI
• High-throughput ab initio modeling of proton transport in solid electrolytes
  J. Balachandran, L. Lin, P. Ganesh
  APS March Meeting (2016)
• Theoretical investigation of oxides for batteries and fuel cell applications
  P. Ganesh, A. A. Lubimtsev, J. Balachandran
  APS March Meeting (2016)
• Electronic structure at electrode/electrolyte interfaces in magnesium based batteries
  J. Balachandran, D. Siegel
  APS March Meeting (2015)
• Electronic structure at electrode/electrolyte interfaces in Mg based electrochemical systems
  J. Balachandran, D. Siegel
  ACS National Meeting, Abstracts of Papers, 249 (2015)
• End-group influence on the frontier molecular orbital reorganization in molecular junctions: effect on thermopower
  J. Balachandran, P. Reddy, B. Dunietz, V. Gavini
  APS March Meeting (2014)
• Effect of stabilization and end group induced charge transfer on frontier molecular orbital reorganization: applications to molecular thermoelectrics
  J. Balachandran, P. Reddy, B. Dunietz, V. Gavini
  APS March Meeting (2013)
• Tailoring the thermopower and nature of transport in aromatic molecule–metal junctions through end-groups
  J. Balachandran, B. Dunietz, P. Reddy, V. Gavini
  ACS National Meeting, Abstracts of Papers, 246 (2013)

Dissertation 1

• Influence of material structure on thermoelectric properties of atomic scale systems
  J. Balachandran
  Ph.D. thesis, University of Michigan (2014)
  Link