Faculty Directory
James Rondinelli

Walter Dill Scott Professor of Materials Science and Engineering

Associate Chair of Materials Science and Engineering

Contact

2220 Campus Drive
Cook 3037
Evanston, IL 60208-3109

847-491-3198Email James Rondinelli

Website

Materials Theory and Design Group

Departments

Materials Science and Engineering

Affiliations

PhD Program in Applied Physics

Education

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, 2 research associates, 2 postdoctoral fellow, 14 PhD students, 1 MS student, and 2 undergraduate researchers. The group's work is distinguished by pioneering electronic structure theory models that build functionality atom-by-atom, enabling the predictive design of materials for transformative applications in structural, microelectronic, and quantum technologies. His group focuses on transition-metal compounds, alloys, and molecules,

uncovering picoscale structure–property relationships to engineer their behavior. By integrating electronic structure theory, multiscale simulations, and AI/machine learning, his team addresses grand challenges in materials physics for structural, microelectronic, and quantum information systems technologies in close collaboration with experimentalists.


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

  • Yuan, Lin Ding; Georgescu, Alexandru B.; Rondinelli, James M., Nonrelativistic Spin Splitting at the Brillouin Zone Center in Compensated Magnets, Physical review letters (2024).
  • Bal, Mustafa; Murthy, Akshay A.; Zhu, Shaojiang; Crisa, Francesco; You, Xinyuan; Huang, Ziwen; Roy, Tanay; Lee, Jaeyel; Zanten, David van; Pilipenko, Roman; Nekrashevich, Ivan; Lunin, Andrei; Bafia, Daniel; Krasnikova, Yulia; Kopas, Cameron J.; Lachman, Ella O.; Miller, Duncan; Mutus, Josh Y.; Reagor, Matthew J.; Cansizoglu, Hilal; Marshall, Jayss; Pappas, David P.; Vu, Kim; Yadavalli, Kameshwar; Oh, Jin Su; Zhou, Lin; Kramer, Matthew J.; Lecocq, Florent; Goronzy, Dominic P.; Torres-Castanedo, Carlos G.; Pritchard, P. Graham; Dravid, Vinayak P.; Rondinelli, James M.; Bedzyk, Michael J.; Hersam, Mark C.; Zasadzinski, John; Koch, Jens; Sauls, James A.; Romanenko, Alexander; Grassellino, Anna, Systematic improvements in transmon qubit coherence enabled by niobium surface encapsulation, npj Quantum Information (2024).
  • Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E, Coherent spin-control of S = 1 vanadium and molybdenum complexes, Chemical Science (2024).
  • Roy, Abhinav; Sieradzki, Karl; Rondinelli, James M.; McCue, Ian D., Effect of chemical short-range order and percolation on passivation in binary alloys, Physical Review B (2024).
  • Zhu, Tong; Lu, Xue Zeng; Aoyama, Takuya; Fujita, Koji; Nambu, Yusuke; Saito, Takashi; Takatsu, Hiroshi; Kawasaki, Tatsushi; Terauchi, Takumi; Kurosawa, Shunsuke; Yamaji, Akihiro; Li, Hao Bo; Tassel, Cédric; Ohgushi, Kenya; Rondinelli, James M.; Kageyama, Hiroshi, Thermal multiferroics in all-inorganic quasi-two-dimensional halide perovskites, Nature materials (2024).
  • Zhang, Jianbing; Shen, Shengchun; Puggioni, Danilo; Wang, Meng; Sha, Haozhi; Xu, Xueli; Lyu, Yingjie; Peng, Huining; Xing, Wandong; Walters, Lauren N.; Liu, Linhan; Wang, Yujia; Hou, De; Xi, Chuanying; Pi, Li; Ishizuka, Hiroaki; Kotani, Yoshinori; Kimata, Motoi; Nojiri, Hiroyuki; Nakamura, Tetsuya; Liang, Tian; Yi, Di; Nan, Tianxiang; Zang, Jiadong; Sheng, Zhigao; He, Qing; Zhou, Shuyun; Nagaosa, Naoto; Nan, Ce Wen; Tokura, Yoshinori; Yu, Rong; Rondinelli, James M.; Yu, Pu, A correlated ferromagnetic polar metal by design, Nature materials (2024).
  • Nathan, Siddhartha S.; Puggioni, Danilo; Rondinelli, James M., Peierls-like distortion drives anion ordering in rutile TiOF, Physical Review Materials (2024).
  • Kautzsch, Linus; Georgescu, Alexandru B.; Puggioni, Danilo; Kent, Greggory; Taddei, Keith M.; Reilly, Aiden; Seshadri, Ram; Rondinelli, James M.; Wilson, Stephen D., Canted antiferromagnetism in polar MnSiN2 with high Néel temperature, Physical Review Materials (2023).
  • 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).