Tracking, diagnosing and impeding dielectric breakdown in polymers

  1. Ajinkya A. Deshmukh, Chao Wu, Omer Yassin, Lihua Chen, Stuti Shukla, Jierui Zhou, Ashish R. Khomane, Rishi Gurnani, Ting Lei, Xidong Liang, Rampi Ramprasad, Yang Cao, and Gregory Sotzing, Effect of Fluorine in Redesigning Energy-Storage Properties of High-Temperature Dielectric Polymers, ACS Applied Materials & Interfaces Article ASAP. 2023. Full text
  2. Chao Wu, Ajinkya A. Deshmukh, Lihua Chen, Rampi Ramprasad, Gregory A. Sotzing, and Yang Cao, Impact of oxygen-containing carbonyl and ether groups on dielectric properties of poly(oxa)norbornene cyclic olefins, J. Adv. Dielect. 13, 2341005. 2023. Full text
  3. Christopher Kuenneth, Jessica Lalonde, Babetta L. Marrone, Carl N. Iverson, Rampi Ramprasad and Ghanshyam Pilania, Bioplastic design using multitask deep neural networks, Commun Mater 3, 96. 2022. Full text
  4. Chao Wu, Ajinkya A. Deshmukh, Lihua Chen, Rampi Ramprasad, Gregory A. Sotzing, and Yang Cao, Rational design of all-organic flexible high-temperature polymer dielectrics, Matter, 5, 9, 2615-2623. Full text
  5. Thomas Linker, Yifei Wang, Ankit Mishra, Deepak Kamal, Yang Chao, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Gregory Sotzing, and Priya Vashishta, Deep Well Trapping of Hot Carriers in a Hexagonal Boron Nitride Coating of Polymer Dielectrics, ACS Appl. Mater. Interfaces, 13, 50, 60393-60400. Full text
  6. Abdullah Alamri, Chao Wu, Ankit Mishra, Lihua Chen, Zongze Li, Ajinkya Deshmukh, Jierui Zhou, Omer Yassin, Rampi Ramprasad, Priya Vashishta, Yang Cao, and Gregory Sotzing, Improving the Rotational Freedom of Polyetherimide: Enhancement of the Dielectric Properties of a Commodity High-Temperature Polymer Using a Structural Defect, Chemistry of Materials 34 (14), 6553-6558. Full text
  7. J. Kern, L. Chen, C. Kim, and R. Ramprasad, Design of polymers for energy storage capacitors using machine learning and evolutionary algorithms, J Mater Sci, (2021). Full text
  8. Abdullah Alamri, Chao Wu, Shamima Nasreen, Huan Tran, Omer Yassin, Ryan Gentile, Deepak Kamal, Rampi Ramprasad, Yang Cao and Gregory Sotzing, High Dielectric Constant and High Breakdown Strength Polyimide via Tin Complexation of the Polyamide Acid Precursor, RSC Advances, 12, 9095-91000, 2022 Full text
  9. A. A. Deshmukh†, C. Wu†, O. Yassin, A. Mishra, L. Chen, A. Alamri, Z. Li, J. Zhou, Z. Mutlu, M. Sotzing, P. Rajak, S. Shukla, J. Vellek, P. Vashishta, M. Cakmak, R. Ramprasad, Y. Cao*, G. Sotzing*. “Flexible polyolefin dielectric by strategic design of organic modules for harsh condition electrification”. Energy & Environmental Science, 2022 Full text
  10. Chao Wu†, Ajinkya A. Deshmukh†, Omer Yassin, Jierui Zhou, Abdullah Alamri, John Vellek, Stuti Shukla, Michael Sotzing, Riccardo Casalini, Gregory A. Sotzing*, Yang Cao*, Flexible Cyclic-Olefin with Enhanced Dipolar Relaxation for Harsh Condition Electrification. Proceedings of the National Academy of Sciences (PNAS) 118 (45), e2115367118, 2021 Full text
  11. David J. Hoffman, Sebastian M. Fica-Contreras, Junkun Pan, and Michael D. Fayer, Distinguishing Steric and Electrostatic Molecular Probe Orientational Ordering Via Their Effects on Reorientation-Induced Spectral Diffusion, J. Chem. Phys. 154, 244104 (2021) Full text
  12. Sebastian M. Fica-Contreras, Robert Daniels, Omer Yassin, David J. Hoffman, Junkun Pan, Gregory Sotzing, and Michael D. Fayer, Long Vibrational Lifetime R-selenocyanate Probes for Ultrafast Infrared Spectroscopy: Properties and Synthesis, J. Phys. Chem. B 125, 8907-8918 (2021) Full text
  13. Thomas Linker, Yifei Wang, Ankit Mishra, Deepak Kamal, Yang Cao, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Gregory Sotzing, and Priya Vashishta, Deep Well Trapping of Hot Carriers in a Hexagonal Boron Nitride Coating of Polymer Dielectrics, JACS Applied Materials & Interfaces (2021) Full text
  14. Rishi Gurnani, Deepak Kamal, Huan Tran, Harikrishna Sahu, Kenny Scharm, Usman Ashraf and Rampi Ramprasad, polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics, Chemistry of materials (2021) Full text
  15. Yifei Wang, Shamima Nasreen, Deepak Kamal, Zongze Li, Chao Wu, Jindong Huo, Lihua Chen, Rampi Ramprasad, Yang Cao, Tuning Surface States of Metal/Polymer Contacts Toward Highly Insulating Polymer-Based Dielectrics,, ACS Applied Materials & Interfaces (2021) Full text
  16. J. Kern, L. Chen, C. Kim, and R. Ramprasad, Design of polymers for energy storage capacitors using machine learning and evolutionary algorithms,J Mater Sci (2021) Full text
  17. Chao Wu, Lihua Chen, Ajinkya Deshmukh, Deepak Kamal, Zongze Li, Pranav Shetty, Jierui Zhou, Harikrishna Sahu, Huan Tran, Gregory Sotzing, Ramp Ramprasad, Yang Cao, “Dielectric polymers tolerant to electric field and temperature extremes: Integration of phenomenology, informatics and experimental validation”, ACS Applied Materials & Interfaces,2021
    18. Full text
  18. Chao Wu, Ajinkya A. Deshmukh, Zongze Li, Lihua Chen, Abdullah Alamri, Yifei Wang, Jierui Zhou, Omer Yassin, Rampi Ramprasad, Gregory A. Sotzing, Yang Cao, “Remarks on the Design of Flexible High-Temperature Polymer Dielectrics for Emerging Grand Electrification – Exemplified by Poly(oxa)norbornenes”, IEEE Transactions on Dielectrics and Electrical Insulation, Vol.28, pp.1468-1470, 2021.
  19. Antonina L Nazarova, Liqiu Yang, Kuang Liu, Ankit Mishra, Rajiv K Kalia, Ken-ichi Nomura, Aiichiro Nakano, Priya Vashishta, Pankaj Rajak , Dielectric Polymers using Recurrent Neural Network with Optimizations,J. Chem. Inf. Model. 61, 2175−2186, 2021. Full text
  20. Christopher Kuenneth, Arunkumar Chitteth Rajan, Huan Tran, Lihua Chen, Chiho Kim, and Rampi Ramprasad, Polymer informatics with multi-task learning, Patterns, 2, 4, 100238, 2021. Full text
  21. Deepak Kamal, Huan Tran, Chiho Kim, Yifei Wang, Lihua Chen, Yang Cao, V. Roshan Joseph, and Rampi Ramprasad, Novel high voltage polymer insulators using computational and data-driven techniques, J. Chem. Phys. 154, 174906, 2021. Full text
  22. Peinan Zhou, Yifei Wang, Shamima, Nasreen, and Yang Cao, Barrier heights of polymer-electrode interfaces measured via photo injection current method. Surfaces and Interfaces, 24, 101070, 2021. Full text
  23. Lihua Chen, Ghanshyam Pilania, Rohit Batra, Tran Doan Huan, Chiho Kim, Christopher Kuenneth and Rampi Ramprasad, Polymer informatics: current status and critical next steps, Mat. Sci. Eng. R., 100595, 144, 2021. Full text
  24. Sebastian M. Fica-Contreras, David J. Hoffman, Junkun Pan, Chungwen Liang, and Michael D. Fayer, Free Volume Element Sizes and Dynamics in Polystyrene and Poly(methyl methacrylate) Measured with Ultrafast Infrared Spectroscopy, J. Am. Chem. Soc. 143, 3583-3594, 2021.Full text
  25. Yifei Wang, Zongze Li, Chao Wu. and Yang Cao, High-temperature dielectric polymer nanocomposites with interposed montmorillonite nanosheets. Chem. Eng. J. 401, 126093, 2020.Full text
  26. “CLS Next Gen: Accurate Frequency-Frequency Correlation Functions from Center Line Slope Analysis of 2D Correlation Spectra using Artificial Neural Networks,” David J. Hoffman and Michael D. Fayer J. Phys. Chem. A 124, 5979-5992 2020.
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  27. David J. Hoffman, Sebastian M. Fica-Contreras, Junkun Pan, and Michael D. Fayer, Pulse-Shaped Chopping: Eliminating and Characterizing Heat Effects in Ultrafast Infrared Spectroscopy, J. Chem. Phys. 153, 204201, 2020.Full text
  28. David J. Hoffmana, Sebastian M. Fica-Contrerasa, and Michael D. Fayera, Amorphous polymer dynamics and free volume element size distributions from ultrafast IR spectroscopy, Proc. Nat. Acad. Sci. U.S.A. 117, 13949-13958, 2020. Full text
  29. Rohit Batra, Hanjun Dai, Tran Doan Huan, Lihua Chen, Chiho Kim, Will R. Gutekunst, Le Song, and Rampi Ramprasad, Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders, Chem. Mater., 2020. Full text
  30. Rohit Batra, Le Song and Rampi Ramprasad, Emerging materials intelligence ecosystems propelled by machine learning, Nat. Rev. Mater., (2020). Full text
  31. Huan Doan Tran, Chiho Kim, Lihua Chen, Anand Chandrasekaran, Rohit Batra, Shruti Venkatram, Deepak Kamal, Jordan P. Lightstone, Rishi Gurnani, Pranav Shetty, Manav Ramprasad, Julia Laws, Madeline Shelton, and Rampi Ramprasad, Machine-learning predictions of polymer properties with Polymer Genome , J. Appl. Phys., 128, 171104, (2020). Full text
  32. Chiho Kim, Rohit Batra, Lihua Chen, Huan Tran and Rampi Ramprasad, Polymer design using genetic algorithm and machine learning, Comput. Mater. Sci., 186, 110067, 2020. Full text
  33. Kamal, Deepak and Wang, Yifei and Tran, Huan Doan and Chen, Lihua and Li, Zongze and Wu, Chao and Nasreen, Shamima and Cao, Yang and Ramprasad, Rampi, Computable Bulk and Interfacial Electronic Structure Features as Proxies for Dielectric Breakdown of Polymers, ACS Appl. Mater. Interfaces,(2020). Full text
  34. BOOK CHAPTER: Anand Chandrasekaran, Chiho Kim, and Rampi Ramprasad, Polymer Genome: A Polymer Informatics Platform to Accelerate Polymer Discovery , Springer, 2020. Full text
  35. Shruti Venkatram, Rohit Batra, Lihua Chen, Chiho Kim, Madeline Shelton, and Rampi Ramprasad, Predicting Crystallization Tendency of Polymers using Multi-fidelity Information Fusion and Machine Learning, J. Phys. Chem. B, 2020. Full text
  36. Anand Chandrasekaran, Chiho Kim, Shruti Venkatram, and Rampi Ramprasad, A Deep Learning Solvent-Selection Paradigm Powered by a Massive Solvent/Nonsolvent Database for Polymers, Macromolecules, 2020. Full text
  37. Jordan P. Lightstone, Lihua Chen, Chiho Kim, Rohit Batra, and Rampi Ramprasad, Refractive index prediction models for polymers using machine learning, J. Appl. Phys., 127, 21, 215105 2020. Full text
  38. David J. Hoffmana, Michael D. Fayera, CLS Next Gen: Accurate Frequency−Frequency Correlation Functions from Center Line Slope Analysis of 2D Correlation Spectra Using Artificial Neural Networks, J. Phys. Chem. A, 2020. Full text
  39. Lihua Chen, Chiho Kim, Rohit Batra, Jordan P. Lightstone, Chao Wu, Zongze Li, Ajinkya A. Deshmukh, Yifei Wang, Huan D. Tran, Priya Vashishta, Gregory A. Sotzing, Yang Cao & Rampi Ramprasad, Frequency-dependent dielectric constant prediction of polymers using machine learning, Npj Comput. Mater. 6, 61 2020. Full text
  40. Chao Wu, Ajinkya A. Deshmukh, Zongze Li, Lihua Chen, Abdullah Alamri, Yifei Wang, Rampi Ramprasad, Gregory A. Sotzing, Yang Cao, Flexible Temperature‐Invariant Polymer Dielectrics with Large Bandgap , Adv. Mater. 2000499, 2020. Full text
  41. Chao Wu, Zongze Li, Gregory M Treich, Mattewos Tefferi, Riccardo Casalini, Rampi Ramprasad, Gregory A Sotzing, Yang Cao, Dipole-relaxation dynamics in a modified polythiourea with high dielectric constant for energy storage applications, Applied Physics Letters, 115, 163901, (2019). Full text
  42. Zongze Li, Gregory M Treich, Mattewos Tefferi, Chao Wu, Shamima Nasreen, Sydney K Scheirey, Rampi Ramprasad, Gregory A Sotzing, Yang Cao, High energy density and high efficiency all-organic polymers with enhanced dipolar polarization, Journal of Materials Chemistry A, 7, 15026-15030, (2019). Full text
  43. Chiho Kim, Anand Chandrasekaran, Anurag Jha, and Rampi Ramprasad, Active-learning and materials design: the example of high glass transition temperature polymers, MRS. Commun., 9, 860-866 (2019). Full text
  44. Anand Chandrasekaran, Deepak Kamal, Rohit Batra, Chiho Kim, Lihua Chen, Rampi Ramprasad, Solving the electronic structure problem with machine learning, npj Computational Materials 5, 22 (2019). Full text
  45. David J. Hoffman, Sebastian M. Fica-Contreras, and Michael D. Fayer “Fast Dynamics of a Hydrogen-Bonding Glass Forming Liquid: Chemical Exchange-Induced Spectral Diffusion in 2D IR Spectroscopy,” J. Chem. Phys. 150, 124507 (2019). Full text
  46. Joseph E. Thomaz, Patrick L. Kramer, Sebastian M. Fica-Contreras, David J. Hoffman, and Michael D. Fayer Reorientation-Induced Stokes Shifts Caused by Directional Interactions in Electronic Spectroscopy: Fast Dynamics of Poly(methyl methacrylate), J. Chem. Phys. 150, 194201 (2019). Full text
  47. Shogo Fukushima, Subodh Tiwari, Hiroyuki Kumazoe, Rajiv K. Kalia, Aiichiro Nakano, Fuyuki Shimojo, and Priya Vashishta, “Effects of chemical defects on anisotropic dielectric response of polyethylene,” AIP Advances 9, 045022: 1-5 (2019). Full text
  48. Hiroyuki Kumazoe, Shogo Fukushima, Subodh Tiwari, Chiho Kim, Tran Doan Huan, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Priya Vashishta, Hot-Carrier Dynamics and Chemistry in Dielectric Polymers, Journal of Physical Chemistry Letters 10, 3937-3943 (2019). Full text
  49. Thomas M. Linker, Subodh C. Tiwari, Hiroyuki Kumazoe, Shogo Fukushima, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Priya D. Vashishta, “Field-induced carrier localization transition in dielectric polymers,” Journal of Physical Chemistry Letters 11, 352-358 (2019). Full text
  50. Lihua Chen, Huan Tran, Rohit Batra, Chiho Kim, Rampi Ramprasad, Machine learning models for the lattice thermal conductivity prediction of inorganic materials, Comp. Mat. Sci., 170, 109155 (2019). Full text
  51. Lihua Chen, Rohit Batra, Raghavan Ranganathan, G. Sotzing, Y. Cao, and R. Ramprasad,Electronic Structure of Polymer Dielectrics: The Role of Chemical and Morphological Complexity, Chemistry of Materials, 30, 21, 7699-7706 (2018). Full text
  52. Lihua Chen, Huan D. Tran, Rampi Ramprasad, Atomistic mechanisms for chemical defects formation in polyethylene, The Journal of Chemical Physics 149, 234902 (2018). Full text
  53. BOOK CHAPTER: Arun Mannodi-Kanakkithodi, Rampi Ramprasad, Rational Design of Polymer Dielectrics: An Application of Density Functional Theory and Machine Learning, In Computational Materials Discovery, The Royal Society of Chemistry, in press (2018). Full text
  54. FEATURE ARTICLE: C. Kim, A. Chandrasekaran, T. D. Huan, D. Das, R. Ramprasad, Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions, Journal of Physical Chemistry C 122, 31, 17575-17585 (2018). Full text
  55. INVITED REVIEW: A. Mannodi-Kanakkithodi, A. Chandrasekaran, C. Kim, T. D. Huan, G. Pilania, V. Botu, R. Ramprasad, Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond Materials Today 21, 7, 785-796 (2018). Full text
  56. I Offenbach, S Gupta, R Ma, G Treich, GA Sotzing, RA Weiss, M Cakmak, Evolution of structural mechanisms in thermoplastic polyimide (BTDA-DAH) from amorphous precursors as revealed by real-time uniaxial mechano-optical behavior, Polymer, 134, 24-34, (2018). Full text
  57. Gregory M Treich, Mattewos Tefferi, Shamima Nasreen, Arun Mannodi-Kanakkithodi, Zongze Li, Rampi Ramprasad, Gregory A Sotzing, Yang Cao, A rational co-design approach to the creation of new dielectric polymers with high energy density, IEEE Transactions on Dielectrics and Electrical Insulation, 24, 732-743, (2017). Full text