D. Koch, M. Pavanello*, X. Shao, M. Ihara, P. W. Ayers, C. F. Matta*, S. Jenkins*, S. Manzhos*: The analysis of electron densities: from basics to emergent applications, Chem. Rev., 124, 12661–12737 (2024), invited review
S. Manzhos*, T. Carrington: Neural network potential energy surfaces for small molecules and reactions, Chem. Rev., 121, 10187–10217 (2021) , invited review
H. D. Pham, L. Xianqiang, L. Wenhui, S. Manzhos, A. K. Kyaw, P. Sonar*: Organic interfacial materials for perovskite-based optoelectronic devices, Energy Environ. Sci., 12, 1177-1209 (2019), review
Y. Thant, T. Wakamiya, M. Nukunudompanich*, K. Kameda, M. Ihara*, S. Manzhos*: Kernel regression methods for prediction of materials properties: recent developments, Chem. Phys. Rev., 6, 011306 (2025), featured article
S. Manzhos*, M. Ihara*, T. Carrington*: Using collocation to solve the Schrödinger equation, J. Chem. Theory Comput., 19, 1641–1656 (2023), Invited review
S. Manzhos*, R. Dawes, T. Carrington*: Neural network based approaches for building high dimensional and quantum dynamics-friendly potential energy surfaces, Int. J. Quantum Chem., 115(16), 1012-1020 (2015), invited review
S. Manzhos*, T. Carrington*, M. Ihara*: Orders of coupling representations as a versatile framework for machine learning from sparse data in high-dimensional spaces, Artificial Intelligence Chemistry, 1, 100008 (2023), Invited review
S. Manzhos*: Machine learning for the solution of the Schrödinger equation, Mach. Learn.: Sci. Technol., 1, 013002 (2020), invited perspective review
S. Manzhos*, S. Tsuda, M. Ihara*: Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionality, Phys. Chem. Chem. Phys., 25, 1546-1555 (2023), invited perspective review
S. Manzhos*, M. Ihara: Computational vibrational spectroscopy of molecule-surface interactions: what is still difficult and what can be done about it, Phys. Chem. Chem. Phys., 24, 15158-5172 (2022), invited perspective review, cover page, PCCP Hot Article
H. Kulik*, T. Hammerschmidt*, J. Schmidt*, S. Botti*, M. A. L. Marques*, M. Boley, M. Scheffler*, M. Todorović, P. Rinke*, C. Oses, A. Smolyanyuk, S. Curtarolo*, A. Tkatchenko, A. Bartok*, S. Manzhos*, M. Ihara, T. Carrington, J. Behler, O. Isayev, M. Veit, A. Grisafi, J. Nigam, M. Ceriotti*, K. T. Schütt*, J. Westermayr, M. Gastegger, R. Maurer, B. Kalita, K. Burke*, R. Nagai, R. Akashi, O. Sugino, J. Hermann, F. Noé, S. Pilati*, C. Draxl, M. Kuban, S. Rigamonti, M. Scheidgen, M. Esters, D. Hicks, C. Toher*, P. Balachandran, I. Tamblyn, S. Whitelam, C. Bellinger, L. M. Ghiringhelli*: Roadmap on machine learning in electronic structure, Electron. Struct., 4, 023004 (2022) , invited review
D. Koch, S. Manzhos*: Ab initio modeling and design of vanadia based electrode materials for post-Li batteries, J. Phys. D: Appl. Phys., 53, 083001 (2020), invited review
D. Koch*, M. Chaker, M. Ihara, S. Manzhos*: Density-based descriptors of redox reactions involving transition metal compounds as a reality-anchored framework: a perspective. Molecules, 26, 5541 (2021), invited, review
S. Manzhos*, C.-C. Chueh, G. Giorgi*, T. Kubo, S. Gopalan, J. Lüder, P. Sonar, M. Ihara: Materials design and optimization for next generation solar cell and light-emitting technologies, J. Phys. Chem. Lett., 12, 4638–4657 (2021) , invited Perspective review
S. Manzhos*, G. Giorgi, J. Lüder, M. Ihara: Modeling of plasmonic properties of nanostructures for next generation solar cells and beyond, Adv. Phys. X, 6, 1908848 (2021), invited review
S. Manzhos*: Aggregate state effects in the atomistic modeling of organic materials for electrochemical energy conversion and storage devices: a perspective, Molecules, 25, 2233 (2020), review
S. Manzhos*: Organic electrode materials for lithium and post-lithium batteries: an ab initio perspective on design, Curr. Opin. Green Sustain. Chem., 17, 8-14 (2019), invited review
J. Lueder, F. Legrain, Y. Chen, S. Manzhos*: Doping of active electrode materials for electrochemical batteries: an electronic structure perspective, MRS Commun., 7, 523-540 (2017), invited Prospective review
S. Manzhos*, T. Carrington*, K. Yamashita*: Non-spectral methods for solving the Schroedinger equation for electronic and vibrational problems, J. Phys. Chem. Lett., invited Perspective, 2(17), 2193-2199 (2011)