• Valleti, Mani, Yongtao Liu, and Sergei Kalinin. "Physics and Chemistry from Parsimonious Representations: Image Analysis via Invariant Variational Autoencoders." arXiv preprint arXiv:2303.18236 (2023).

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• Biswas, Arpan, Yongtao Liu, Nicole Creange, Yu-Chen Liu, Stephen Jesse, Jan-Chi Yang, Sergei V. Kalinin, Maxim A. Ziatdinov, and Rama K. Vasudevan. "A dynamic Bayesian optimized active recommender system for curiosity-driven Human-in-the-loop automated experiments." arXiv preprint arXiv:2304.02484 (2023).

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• Liu, Yongtao, Jonghee Yang, Rama K. Vasudevan, Kyle P. Kelley, Maxim Ziatdinov, Sergei V. Kalinin, and Mahshid Ahmadi. "Exploring the Relationship of Microstructure and Conductivity in Metal Halide Perovskites via Active Learning-Driven Automated Scanning Probe Microscopy." The Journal of Physical Chemistry Letters 14 (2023): 3352-3359.

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• Volpe, G., Wählby, C., Tian, L., Hecht, M., Yakimovich, A., Monakhova, K., Waller, L., Sbalzarini, I.F., Metzler, C.A., Xie, M. and Zhang, K., 2023. Roadmap on Deep Learning for Microscopy. ArXiv.

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• Kalinin, Sergei V., Rama Vasudevan, Yongtao Liu, Ayana Ghosh, Kevin Roccapriore, and Maxim Ziatdinov. "Probe Microscopy is All You Need." Machine Learning: Science and Technology (2023).

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• Liu, Yongtao, Anna Morozovska, Eugene Eliseev, Kyle P. Kelley, Rama Vasudevan, Maxim Ziatdinov, and Sergei V. Kalinin.  "Autonomous scanning probe microscopy with hypothesis learning: Exploring the physics of domain switching in ferroelectric materials." Patterns 4.3 (2023).

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• Liu, Yongtao, Rama K. Vasudevan, Kyle P. Kelley, Hiroshi Funakubo, Maxim Ziatdinov, and Sergei V. Kalinin. "Learning the right channel in multimodal imaging: automated experiment in Piezoresponse Force Microscopy." npj Computational Materials 9.1 (2023): 34.

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• Liu, Yongtao, Maxim Ziatdinov, Rama Vasudevan, and Sergei V. Kalinin. "Post-Experiment Forensics and Human-in-the-Loop Interventions in Explainable Autonomous Scanning Probe Microscopy." arXiv preprint arXiv:2302.06577 (2023).

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• Kalinin, Sergei V., Maxim Ziatdinov, Mahshid Ahmadi, Ayana Ghosh, Kevin Roccapriore, Yongtao Liu, and Rama K. Vasudevan. "Designing Workflows for Materials Characterization." arXiv preprint arXiv:2302.04397 (2023).

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• Liu, Yongtao, Kyle P. Kelley, Hiroshi Funakubo, Sergei V. Kalinin, and Maxim Ziatdinov. "Exploring Physics of Ferroelectric Domain Walls in Real Time: Deep Learning Enabled Scanning Probe Microscopy." Advanced Science, (2022) 202203957.

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• Liu, Yongtao, Jonghee Yang, Benjamin J. Lawrie, Kyle P. Kelley, Maxim Ziatdinov, Sergei V. Kalinin, and Mahshid Ahmadi. "Disentangling electronic transport and hysteresis at individual grain boundaries in hybrid perovskites via automated scanning probe microscopy." arXiv preprint arXiv:2210.14138 (2022).

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• Liu, Yongtao, Kyle P. Kelley, Rama K. Vasudevan, Wanlin Zhu, John Hayden, Jon‐Paul Maria, Hiroshi Funakubo, Maxim A. Ziatdinov, Susan Trolier‐McKinstry, and Sergei V. Kalinin. "Automated Experiments of Local Non‐Linear Behavior in Ferroelectric Materials." Small (2022): 2204130.

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• Ziatdinov, Maxim, Yongtao Liu, Kyle Kelley, Rama Vasudevan, and Sergei V. Kalinin. "Bayesian active learning for scanning probe microscopy: from gaussian processes to hypothesis learning." ACS nano 16, no. 9 (2022): 13492-13512.​​

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• Liu, Yongtao, Miaosheng Wang, Anton V. Ievlev, A. Ahmadi, J. K. Keum, M. Ahmadi, B. Hu, and O. S. Ovchinnikova. "Photoinduced iodide repulsion and halides-demixing in layered perovskites." Materials Today Nano 18 (2022): 100197.

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• Liu, Yongtao, Shelby S. Fields, Takanori Mimura, Kyle P. Kelley, Susan Trolier-McKinstry, Jon F. Ihlefeld, and Sergei V. Kalinin. "Exploring leakage in dielectric films via automated experiments in scanning probe microscopy." Applied Physics Letters 120, no. 18 (2022): 182903.

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• Liu, Yongtao, Kyle P. Kelley, Rama K. Vasudevan, Hiroshi Funakubo, Maxim A. Ziatdinov, and Sergei V. Kalinin. "Experimental discovery of structure–property relationships in ferroelectric materials via active learning." Nature Machine Intelligence 4, no. 4 (2022): 341-350.

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• Ziatdinov, Maxim, Yongtao Liu, and Sergei V. Kalinin. "Active learning in open experimental environments: selecting the right information channel (s) based on predictability in deep kernel learning." arXiv preprint arXiv:2203.10181 (2022).

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• Ziatdinov, Maxim A., Yongtao Liu, Anna N. Morozovska, Eugene A. Eliseev, Xiaohang Zhang, Ichiro Takeuchi, and Sergei V. Kalinin. "Hypothesis learning in automated experiment: application to combinatorial materials libraries." Advanced Materials (2022): 2201345.

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• Liu, Yongtao, Maxim Ziatdinov, and Sergei V. Kalinin. "Exploring causal physical mechanisms via non-gaussian linear models and deep kernel learning: applications for ferroelectric domain structures." ACS nano 16, no. 1 (2021): 1250-1259.

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• Kim, Dohyung, Jihoo Lim, Seungmin Lee, Arman Mahboubi Soufiani, Eunyoung Choi, Anton V. Ievlev, Nikolay Borodinov et al. "Microstructural Evaluation of Phase Instability in Large Bandgap Metal Halide Perovskites." ACS nano 15, no. 12 (2021): 20391-20402.

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• Kalinin, Sergei V., James J. Steffes, Yongtao Liu, Bryan D. Huey, and Maxim Ziatdinov. "Disentangling ferroelectric domain wall geometries and pathways in dynamic piezoresponse force microscopy via unsupervised machine learning." Nanotechnology 33, no. 5 (2021): 055707.

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• Kim, Dohyung, Yongtao Liu, Anton V. Ievlev, Kate Higgins, Olga S. Ovchinnikova, Jae Sung Yun, Jan Seidel, Sergei V. Kalinin, and Mahshid Ahmadi. "Unraveling the hysteretic behavior at double cations-double halides perovskite-electrode interfaces." Nano Energy 89 (2021): 106428.

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• Liu, Yongtao, Rama K. Vasudevan, Kyle K. Kelley, Dohyung Kim, Yogesh Sharma, Mahshid Ahmadi, Sergei V. Kalinin, and Maxim Ziatdinov. "Decoding the shift-invariant data: applications for band-excitation scanning probe microscopy." Machine Learning: Science and Technology 2, no. 4 (2021): 045028.

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• Liu, Yongtao, Roger Proksch, Chun Yin Wong, Maxim Ziatdinov, and Sergei V. Kalinin. "Disentangling ferroelectric wall dynamics and identification of pinning mechanisms via deep learning." Advanced Materials 33, no. 43 (2021): 2103680.

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• Liu, Yongtao, Dohyung Kim, Anton V. Ievlev, Sergei V. Kalinin, Mahshid Ahmadi, and Olga S. Ovchinnikova. "Ferroic halide perovskite optoelectronics." Advanced Functional Materials 31, no. 36 (2021): 2102793.

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• bin Mohd Yusoff, Abd Rashid, Arup Mahata, Maria Vasilopoulou, Habib Ullah, Bin Hu, Wilson Jose da Silva, Fabio Kurt Schneider et al. "Observation of large Rashba spin–orbit coupling at room temperature in compositionally engineered perovskite single crystals and application in high performance photodetectors." Materials Today 46 (2021): 18-27.

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• Kim, Dohyung, Bogdan Dryzhakov, Yongtao Liu, Olga S. Ovchinnikova, Bin Hu, Sergei V. Kalinin, and Mahshid Ahmadi. "Ferroelectric and Charge Transport Properties in Strain-Engineered Two-Dimensional Lead Iodide Perovskites." Chemistry of Materials 33, no. 11 (2021): 4077-4088.

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• Ziatdinov, Maxim, Muammer Yusuf Yaman, Yongtao Liu, David Ginger, and Sergei V. Kalinin. "Semi-supervised learning of images with strong rotational disorder: assembling nanoparticle libraries." arXiv preprint arXiv:2105.11475 (2021).

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• Liu, Yongtao, Nikolay Borodinov, Liam Collins, Mahshid Ahmadi, Sergei V. Kalinin, Olga S. Ovchinnikova, and Anton V. Ievlev. "Role of decomposition product ions in hysteretic behavior of metal halide perovskite." ACS nano 15, no. 5 (2021): 9017-9026.

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• Liu, Yongtao, Patrick Trimby, Liam Collins, Mahshid Ahmadi, Aimo Winkelmann, Roger Proksch, and Olga S. Ovchinnikova. "Correlating crystallographic orientation and ferroic properties of twin domains in metal halide perovskites." ACS nano 15, no. 4 (2021): 7139-7148.

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• Liu, Yongtao, Bobby G. Sumpter, Jong K. Keum, Bin Hu, Mahshid Ahmadi, and Olga S. Ovchinnikova. "Strain in metal halide perovskites: the critical role of A-site cation." ACS Applied Energy Materials 4, no. 3 (2021): 2068-2072.

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• Liu, Yongtao, Anton V. Ievlev, Nikolay Borodinov, Matthias Lorenz, Kai Xiao, Mahshid Ahmadi, Bin Hu, Sergei V. Kalinin, and Olga S. Ovchinnikova. "Direct observation of photoinduced ion migration in lead halide perovskites." Advanced Functional Materials 31, no. 8 (2021): 2008777.

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• Kalinin, Sergei V., Ondrej Dyck, Ayana Ghosh, Yongtao Liu, Roger Proksch, Bobby G. Sumpter, and Maxim Ziatdinov. "Unsupervised machine learning discovery of chemical and physical transformation pathways from imaging data." arXiv preprint arXiv:2010.09196 (2020).

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• Liu, Yongtao, Nikolay Borodinov, Matthias Lorenz, Mahshid Ahmadi, Sergei V. Kalinin, Anton V. Ievlev, and Olga S. Ovchinnikova. "Hysteretic ion migration and remanent field in metal halide perovskites." Advanced Science 7, no. 19 (2020): 2001176.

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• Liu, Yongtao, Matthias Lorenz, Anton V. Ievlev, and Olga S. Ovchinnikova. "Secondary ion mass spectrometry (SIMS) for chemical characterization of metal halide perovskites." Advanced Functional Materials 30, no. 35 (2020): 2002201.

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• Dou, Yixuan, Hengxing Xu, Yongtao Liu, Miaosheng Wang, Jia Zhang, Olga S. Ovchinnikova, and Bin Hu. "Tuning spin-orbit coupling towards enhancing photocurrent in hybrid organic-inorganic perovskites by using mixed organic cations." Organic Electronics 81 (2020): 105671.

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• Liu, Yongtao, Anton V. Ievlev, Liam Collins, Alex Belianinov, Jong K. Keum, Mahshid Ahmadi, Stephen Jesse et al. "Strain–chemical gradient and polarization in metal halide perovskites." Advanced Electronic Materials 6, no. 4 (2020): 1901235.

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• Liu, Yongtao, Mingxing Li, Miaosheng Wang, Liam Collins, Anton V. Ievlev, Stephen Jesse, Kai Xiao, Bin Hu, Alex Belianinov, and Olga S. Ovchinnikova. "Twin domains modulate light-matter interactions in metal halide perovskites." APL Materials 8, no. 1 (2020): 011106.

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• Zhu, Xixiang, Hengxing Xu, Yongtao Liu, Jia Zhang, Miaosheng Wang, Ilia N. Ivanov, Olga S. Ovchinnikova, and Bin Hu. "Two‐Photon Up‐Conversion Photoluminescence Realized through Spatially Extended Gap States in Quasi‐2D Perovskite Films." Advanced Materials 31, no. 49 (2019): 1901240.

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• Liu, Yongtao, Anton V. Ievlev, Liam Collins, Nikolay Borodinov, Alex Belianinov, Jong K. Keum, Miaosheng Wang et al. "Light‐ferroic interaction in hybrid organic–inorganic perovskites." Advanced Optical Materials 7, no. 23 (2019): 1901451.

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• Liu, Yongtao, Liam Collins, Roger Proksch, Songkil Kim, Brianna R. Watson, Benjamin Doughty, Tessa R. Calhoun et al. "Reply to: on the ferroelectricity of CH3NH3PbI3 perovskites." Nature materials 18, no. 10 (2019): 1051-1053.

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• Collins, Liam, Yongtao Liu, Olga S. Ovchinnikova, and Roger Proksch. "Quantitative electromechanical atomic force microscopy." ACS nano 13, no. 7 (2019): 8055-8066.

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• Liu, Yongtao, Alex Belianinov, Liam Collins, Roger Proksch, Anton V. Ievlev, Bin Hu, Sergei V. Kalinin, and Olga S. Ovchinnikova. "Ferroic twin domains in metal halide perovskites." MRS Advances 4, no. 51-52 (2019): 2817-2830.

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• Liu, Yongtao, Liam Collins, Roger Proksch, Songkil Kim, Brianna R. Watson, Benjamin Doughty, Tessa R. Calhoun et al. "Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite." Nature materials 17, no. 11 (2018): 1013-1019.

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• Collins, Liam, Mahshid Ahmadi, Jiajun Qin, Yongtao Liu, Olga S. Ovchinnikova, Bin Hu, Stephen Jesse, and Sergei V. Kalinin. "Time resolved surface photovoltage measurements using a big data capture approach to KPFM." Nanotechnology 29, no. 44 (2018): 445703.

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• Liu, Yongtao, Liam Collins, Alex Belianinov, Sabine M. Neumayer, Anton V. Ievlev, Mahshid Ahmadi, Kai Xiao et al. "Dynamic behavior of CH3NH3PbI3 perovskite twin domains." Applied Physics Letters 113, no. 7 (2018): 072102.

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• Liu, Yongtao, Yanna Sun, Miaomiao Li, Huanran Feng, Wang Ni, Hongtao Zhang, Xiangjian Wan, and Yongsheng Chen. "Efficient carbazole-based small-molecule organic solar cells with an improved fill factor." RSC advances 8, no. 9 (2018): 4867-4871.

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• Zhang, Hongtao, Yongtao Liu, Yanna Sun, Miaomiao Li, Wang Ni, Qian Zhang, Xiangjian Wan, and Yongsheng Chen. "A simple small molecule as the acceptor for fullerene-free organic solar cells." Science China Chemistry 60, no. 3 (2017): 366-369.

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• Zhang, Hongtao, Yongtao Liu, Yanna Sun, Miaomiao Li, Bin Kan, Xin Ke, Qian Zhang, Xiangjian Wan, and Yongsheng Chen. "Developing high-performance small molecule organic solar cells via a large planar structure and an electron-withdrawing central unit." Chemical Communications 53, no. 2 (2017): 451-454.

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• Liu, Yongtao, Hongtao Zhang, Yanna Sun, Xiangjian Wan, and Yongsheng Chen. "ADA-type small molecular acceptor with one hexyl-substituted thiophene as π bridge for fullerene-free organic solar cells." Science China Materials 60, no. 1 (2017): 49-56.

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• Li, Miaomiao, Yongtao Liu, Wang Ni, Feng Liu, Huanran Feng, Yamin Zhang, Tingting Liu et al. "A simple small molecule as an acceptor for fullerene-free organic solar cells with efficiency near 8%." Journal of Materials Chemistry A 4, no. 27 (2016): 10409-10413.

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• Li, Miaomiao, Wang Ni, Huanran Feng, Xiangjian Wan, Yongtao Liu, Yi Zuo, Bin Kan, Qian Zhang, and Yongsheng Chen. "A low bandgap carbazole based small molecule for organic solar cells." Organic Electronics 24 (2015): 89-95.