Faculty Directory
James Rondinelli

Walter Dill Scott Professor of Materials Science and Engineering

Associate Chair of Materials Science and Engineering


2220 Campus Drive
Cook 3037
Evanston, IL 60208-3109

847-491-3198Email James Rondinelli


Materials Theory and Design Group


Materials Science and Engineering


PhD Program in Applied Physics


Ph.D. Materials Science and Engineering, University of California - Santa Barbara, CA

B.S. Materials Science and Engineering, Northwestern University, IL

Research Interests

Rondinelli leads the Materials Theory and Design group at Northwestern University (NU), which consists of 1 research assistant professor, 1 research associate, 1 postdoctoral fellow, 13 PhD students, 1 MS student, and 2 undergraduate researchers. He is pioneering the concept of structure-driven properties to overcome materials disparities and address grand challenges in the structure and dynamics of complex electronic, magnetic, and optical materials for twenty-first century technologies. He has a record of producing high-impact research resulting in predictive design principles, new microscopic models, and new transition metal compounds with improved performance (through experimental collaborations), by balancing prediction with experimental feasibility demonstrated through his publication and patent record. 


His interests are in electronic structure theory and design of functional transition metal compounds using picoscale structure-property relationships for solving grand challenges by:

  • Harmonizing contraindicated electron, spin, and inversion-symmetry-based properties
  • Controlling properties emerging from complex atomic and electronic correlations
  • Designing new forms of matter for energy-efficient and information technologies
  • Intersecting materials and ultrafast light sciences to control phases out-of-equilibrium
  • Interfacing data and materials sciences for accelerated discovery
  • Understanding aqueous corrosion with computational electrochemistry
  • Realizing optical sources to support increased resolution in manufacturing

Significant Recognition

  • Selected as one of two recipients of the 2017 Outstanding Young Investigator Award
  • CAREER Award, National Science Foundation (2015)
  • American Ceramic Society Ross Coffin Purdy Award (2014)
  • Defense Advanced Research Projects Agency (DARPA) Young Faculty Award (2012-2013)
  • Army Research Office, Young Investigator Program (YIP) Award (2012-2014)
  • Joseph Katz Named Postdoctoral Fellow, Argonne National Laboratory (2010-2011)

Selected Publications

  • Lu, Xue Zeng; Rondinelli, James M., Strain engineering a persistent spin helix with infinite spin lifetime, Physical Review B (2023).
  • Krapivin, Viktor; Gu, Mingqiang; Hickox-Young, D.; Teitelbaum, S. W.; Huang, Y.; De La Peña, G.; Zhu, D.; Sirica, N.; Lee, M. C.; Prasankumar, R. P.; Maznev, A. A.; Nelson, K. A.; Chollet, M.; Rondinelli, James M.; Reis, D. A.; Trigo, M., Ultrafast Suppression of the Ferroelectric Instability in KTaO3, Physical review letters (2022).
  • Hickox-Young, Daniel; Puggioni, Danilo; Rondinelli, James M., Polar metals taxonomy for materials classification and discovery, Physical Review Materials (2023).
  • Padmanabhan, Hari; Stoica, Vladimir A.; Kim, Peter K.; Poore, Maxwell; Yang, Tiannan; Shen, Xiaozhe; Reid, Alexander H.; Lin, Ming Fu; Park, Suji; Yang, Jie; Wang, Huaiyu; Koocher, Nathan Z.; Puggioni, Danilo; Georgescu, Alexandru B.; Min, Lujin; Lee, Seng Huat; Mao, Zhiqiang; Rondinelli, James M.; Lindenberg, Aaron M.; Chen, Long Qing; Wang, Xijie; Averitt, Richard D.; Freeland, John W.; Gopalan, Venkatraman, Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi2Te4, Advanced Materials (2022).
  • Walters, Lauren N.; Wang, Emily L.; Rondinelli, James M., Thermodynamic Descriptors to Predict Oxide Formation in Aqueous Solutions, Journal of Physical Chemistry Letters (2022).
  • Wang, Yiqun; Zhang, Xiao Jie; Xia, Fei; Olivetti, Elsa A.; Wilson, Stephen D.; Seshadri, Ram; Rondinelli, James M., Learning the crystal structure genome for property classification, Physical Review Research (2022).
  • Meier, Quintin N.; Hickox-Young, Daniel; Laurita, Geneva; Spaldin, Nicola A.; Rondinelli, James M.; Norman, Michael R., Leggett Modes Accompanying Crystallographic Phase Transitions, Physical Review X (2022).
  • Amdur, M. Jeremy; Mullin, Kathleen R.; Waters, Michael J.; Puggioni, Danilo; Wojnar, Michael K.; Gu, Mingqiang; Sun, Lei; Oyala, Paul H.; Rondinelli, James M.; Freedman, Danna E., Chemical control of spin-lattice relaxation to discover a room temperature molecular qubit, Chemical Science (2022).
  • Oxley, Benjamin M.; Cho, Jeong Bin; Iyer, Abishek K.; Waters, Michael J.; He, Jingyang; Smith, Nathan C.; Wolverton, Chris; Gopalan, Venkatraman; Rondinelli, James M.; Jang, Joon I.; Kanatzidis, Mercouri G., Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS2- xSex, Journal of the American Chemical Society (2022).
  • Harada, Jaye K.; Poeppelmeier, Kenneth R.; Rondinelli, James M., Heteroanionic Ruddlesden-Popper ferroelectrics from anion order and octahedral tilts, Physical Review Materials (2021).
  • Lu, Xue Zeng; Rondinelli, James M., Tunable magnetic anisotropy in multiferroic oxides, Physical Review B 103(18) (2021).
  • Wang, Jiayi; Shin, Yongjin; Paudel, Jay R.; Grassi, Joseph D.; Sah, Raj K.; Yang, Weibing; Karapetrova, Evguenia; Zaidan, Abdulhadi; Strocov, Vladimir N.; Klewe, Christoph; Shafer, Padraic; Gray, Alexander X.; Rondinelli, James M.; May, Steven J., Strain-Induced Anion-Site Occupancy in Perovskite Oxyfluoride Films, Chemistry of Materials 33(5):1811-1820 (2021).
  • Wang, Yiqun; Iyer, Akshay; Chen, Wei; Rondinelli, James M., Featureless adaptive optimization accelerates functional electronic materials design, Applied Physics Reviews 7(4) (2020).
  • Hong, Seung Sae; Gu, Mingqiang; Verma, Manish; Harbola, Varun; Wang, Bai Yang; Lu, Di; Vailionis, Arturas; Hikita, Yasuyuki; Pentcheva, Rossitza; Rondinelli, James M.; Hwang, Harold Y., Extreme tensile strain states in La0.7Ca0.3MnO3 membranes, Science 368(6486) (2020).
  • Szymanski, Nathan J.; Walters, Lauren N.; Puggioni, Danilo; Rondinelli, James M., Design of Heteroanionic MoON Exhibiting a Peierls Metal-Insulator Transition, Physical review letters 123(23) (2019).
  • McLeod, A. S.; Zhang, Jingdi; Gu, M. Q.; Jin, F.; Zhang, G.; Post, K. W.; Zhao, X. G.; Millis, A. J.; Wu, W. B.; Rondinelli, J. M.; Averitt, R. D.; Basov, D. N., Multi-messenger nanoprobes of hidden magnetism in a strained manganite, Nature materials 19(4):397-404 (2019).
  • Harada, Jaye K.; Poeppelmeier, Kenneth R.; Rondinelli, James M., Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order, Inorganic chemistry 58(19):13229-13240 (2019).
  • Wagner, Nicholas; Seshadri, Ram; Rondinelli, James M., Property control from polyhedral connectivity in AB O3 oxides, Physical Review B 100(6) (2019).
  • Huang, Liang Feng; Scully, John R.; Rondinelli, James M., Modeling Corrosion with First-Principles Electrochemical Phase Diagrams, Annual Review of Materials Research 49:53-77 (2019).
  • Harada, Jaye K.; Charles, Nenian; Poeppelmeier, Kenneth R.; Rondinelli, James M., Heteroanionic Materials by Design, Advanced Materials 31(19) (2019).
  • Kageyama, Hiroshi; Hayashi, Katsuro; Maeda, Kazuhiko; Attfield, J. Paul; Hiroi, Zenji; Rondinelli, James M.; Poeppelmeier, Kenneth R., Expanding frontiers in materials chemistry and physics with multiple anions, Nature communications 9(1) (2018).
  • Gu, Mingqiang; Rondinelli, James M., Nonlinear phononic control and emergent magnetism in Mott insulating titanates, Physical Review B 98(2) (2018).
  • Charles, Nenian; Saballos, Richard J.; Rondinelli, James M., Structural Diversity from Anion Order in Heteroanionic Materials, Chemistry of Materials 30(10):3528-3537 (2018).
  • Young, Joshua; Moon, Eun Ju; Mukherjee, Debangshu; Stone, Greg; Gopalan, Venkatraman; Alem, Nasim; May, Steven J.; Rondinelli, James M., Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order, Journal of the American Chemical Society 139(7):2833-2841 (2017).
  • Balachandran, Prasanna V.; Young, Joshua; Lookman, Turab; Rondinelli, James M., Learning from data to design functional materials without inversion symmetry, Nature communications 8 (2017).
  • Lu, Xue Zeng; Rondinelli, James M., Room Temperature Electric-Field Control of Magnetism in Layered Oxides with Cation Order, Advanced Functional Materials 27(4) (2017).
  • Huang, Liang Feng; Lu, Xue Zeng; Rondinelli, James M, Tunable Negative Thermal Expansion in Layered Perovskites from Quasi-Two-Dimensional Vibrations, Physical review letters 117(11) (2016).
  • Huang, Liang Feng; Rondinelli, James M., Electrochemical phase diagrams for Ti oxides from density functional calculations, Physical Review B - Condensed Matter and Materials Physics 92(24) (2015).
  • Huang, F. T.; Xue, F.; Gao, B.; Wang, L. H.; Luo, X.; Cai, W.; Lu, X. Z.; Rondinelli, J. M.; Chen, L. Q.; Cheong, S. W., Domain topology and domain switching kinetics in a hybrid improper ferroelectric, Nature communications 7 (2016).
  • Gu, Mingqiang; Rondinelli, James M., Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides, Scientific reports 6 (2016).
  • Lu, Xue Zeng; Rondinelli, James M., Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides, Nature materials 15(9):951-955 (2016).
  • Young, Joshua; Lalkiya, Parth; Rondinelli, James M, Design of noncentrosymmetric perovskites from centric and acentric basic building units, Journal of Materials Chemistry C 4(18):4016-4027 (2016).
  • Young, Joshua; Rondinelli, James M., Octahedral Rotation Preferences in Perovskite Iodides and Bromides, Journal of Physical Chemistry Letters 7(5):918-922 (2016).
  • He, Jiangang; Franchini, Cesare; Rondinelli, James M., Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials, Chemistry of Materials 28(1):25-29 (2016).
  • Kim, T. H.; Puggioni, Danilo; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J. W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, James M; Eom, C. B., Polar metals by geometric design, Nature 533(7601):68-72 (2016).