| Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications T Yanai, Y Kurashige, W Mizukami, J Chalupský, TN Lan, M Saitow International Journal of Quantum Chemistry 115 (5), 283-299, 2015 | 192 | 2015 |
| More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory W Mizukami, Y Kurashige, T Yanai Journal of Chemical Theory and Computation 9 (1), 401-407, 2013 | 138 | 2013 |
| Orbital optimized unitary coupled cluster theory for quantum computer W Mizukami, K Mitarai, YO Nakagawa, T Yamamoto, T Yan, Y Ohnishi Physical Review Research 2 (3), 033421, 2020 | 111 | 2020 |
| Orbital optimized unitary coupled cluster theory for quantum computer W Mizukami, K Mitarai, YO Nakagawa, T Yamamoto, T Yan, Y Ohnishi arXiv preprint arXiv:1910.11526, 2019 | 111 | 2019 |
| Deep variational quantum eigensolver: a divide-and-conquer method for solving a larger problem with smaller size quantum computers K Fujii, K Mizuta, H Ueda, K Mitarai, W Mizukami, YO Nakagawa PRX Quantum 3 (1), 010346, 2022 | 78 | 2022 |
| Theory of analytical energy derivatives for the variational quantum eigensolver K Mitarai, YO Nakagawa, W Mizukami Physical Review Research 2 (1), 013129, 2020 | 78 | 2020 |
| Relativistic internally contracted multireference electron correlation methods T Shiozaki, W Mizukami Journal of chemical theory and computation 11 (10), 4733-4739, 2015 | 56 | 2015 |
| Synthesis of monodispersedly sized ZnO nanowires from randomly sized seeds X Zhao, K Nagashima, G Zhang, T Hosomi, H Yoshida, Y Akihiro, M Kanai, ... Nano Letters 20 (1), 599-605, 2019 | 50 | 2019 |
| Ab Initio Vibrational Spectroscopy of cis- and trans-Formic Acid from a Global Potential Energy Surface DP Tew, W Mizukami The Journal of Physical Chemistry A 120 (49), 9815-9828, 2016 | 46 | 2016 |
| Solving quasiparticle band spectra of real solids using neural-network quantum states N Yoshioka, W Mizukami, F Nori Communications Physics 4 (1), 106, 2021 | 44 | 2021 |
| Variational quantum simulation for periodic materials N Yoshioka, T Sato, YO Nakagawa, Y Ohnishi, W Mizukami Physical Review Research 4, 013052, 2022 | 43 | 2022 |
| Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations T Ohto, J Hunger, EHG Backus, W Mizukami, M Bonn, Y Nagata Physical Chemistry Chemical Physics 19 (10), 6909-6920, 2017 | 43 | 2017 |
| Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations W Mizukami, Y Kurashige, T Yanai The Journal of Chemical Physics 133 (9), 2010 | 41 | 2010 |
| A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression W Mizukami, S Habershon, DP Tew The Journal of chemical physics 141 (14), 2014 | 39 | 2014 |
| Selective Detection of Toluene Using Pulse-Driven SnO2 Micro Gas Sensors K Suematsu, T Oyama, W Mizukami, Y Hiroyama, K Watanabe, ... ACS Applied Electronic Materials 2 (9), 2913-2920, 2020 | 38 | 2020 |
| Unveiling the amphiphilic nature of TMAO by vibrational sum frequency generation spectroscopy T Ohto, EHG Backus, W Mizukami, J Hunger, M Bonn, Y Nagata The Journal of Physical Chemistry C 120 (31), 17435-17443, 2016 | 37 | 2016 |
| Changes in the Geometries of C2H2 and C2H4 on Coordination to CuCl Revealed by Broadband Rotational Spectroscopy and ab-Initio Calculations SL Stephens, DM Bittner, VA Mikhailov, W Mizukami, DP Tew, NR Walker, ... Inorganic chemistry 53 (19), 10722-10730, 2014 | 36 | 2014 |
| A second-order multi-reference perturbation method for molecular vibrations W Mizukami, DP Tew The Journal of chemical physics 139 (19), 2013 | 36 | 2013 |
| Molecular geometry of OC⋅⋅⋅ AgI determined by broadband rotational spectroscopy and ab initio calculations SL Stephens, W Mizukami, DP Tew, NR Walker, AC Legon The Journal of chemical physics 136 (6), 2012 | 35 | 2012 |
| Large hydrogen-bond mismatch between TMAO and urea promotes their hydrophobic association WJ Xie, S Cha, T Ohto, W Mizukami, Y Mao, M Wagner, M Bonn, J Hunger, ... Chem 4 (11), 2615-2627, 2018 | 33 | 2018 |
David TewUniversity of OxfordVerified email at chem.ox.ac.uk
