| Near-shore aggregation mechanism of electrolyte decomposition products to explain solid electrolyte interphase formation K Ushirogata, K Sodeyama, Z Futera, Y Tateyama, Y Okuno Journal of The Electrochemical Society 162 (14), A2670, 2015 | 96 | 2015 |
| Kinetics of trifurcated electron flow in the decaheme bacterial proteins MtrC and MtrF X Jiang, B Burger, F Gajdos, C Bortolotti, Z Futera, M Breuer, ... Proceedings of the National Academy of Sciences 116 (9), 3425-3430, 2019 | 76 | 2019 |
| Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics Z Futera, NJ English The Journal of Chemical Physics 147 (3), 2017 | 70 | 2017 |
| Electronic couplings for charge transfer across molecule/metal and molecule/semiconductor interfaces: Performance of the projector operator-based diabatization approach Z Futera, J Blumberger The Journal of Physical Chemistry C 121 (36), 19677-19689, 2017 | 59 | 2017 |
| Coherent electron transport across a 3 nm bioelectronic junction made of multi-heme proteins Z Futera, I Ide, B Kayser, K Garg, X Jiang, JH Van Wonderen, JN Butt, ... The journal of physical chemistry letters 11 (22), 9766-9774, 2020 | 58 | 2020 |
| Direct evidence for heme-assisted solid-state electronic conduction in multi-heme c-type cytochromes K Garg, M Ghosh, T Eliash, JH van Wonderen, JN Butt, L Shi, X Jiang, ... Chemical science 9 (37), 7304-7310, 2018 | 57 | 2018 |
| The solvation structure of lithium ions in an ether based electrolyte solution from first-principles molecular dynamics M Callsen, K Sodeyama, Z Futera, Y Tateyama, I Hamada The Journal of Physical Chemistry B 121 (1), 180-188, 2017 | 53 | 2017 |
| Exploring Rutile (110) and Anatase (101) TiO2 Water Interfaces by Reactive Force-Field Simulations Z Futera, NJ English The Journal of Physical Chemistry C 121 (12), 6701-6711, 2017 | 52 | 2017 |
| Chiral guest binding as a probe of macrocycle dynamics and tautomerism in a conjugated tetrapyrrole J Labuta, Z Futera, S Ishihara, H Kouřilová, Y Tateyama, K Ariga, JP Hill Journal of the American Chemical Society 136 (5), 2112-2118, 2014 | 51 | 2014 |
| Cysteine linkages accelerate electron flow through tetra-heme protein STC X Jiang, Z Futera, ME Ali, F Gajdos, GF von Rudorff, A Carof, M Breuer, ... Journal of the American Chemical Society 139 (48), 17237-17240, 2017 | 47 | 2017 |
| Electric-Field Effects on Adsorbed-Water Structural and Dynamical Properties at Rutile- and Anatase-TiO2 Surfaces Z Futera, NJ English The Journal of Physical Chemistry C 120 (35), 19603-19612, 2016 | 47 | 2016 |
| Hydrogen-bond dynamics at the bio–water interface in hydrated proteins: a molecular-dynamics study PK Nandi, NJ English, Z Futera, A Benedetto Physical Chemistry Chemical Physics 19 (1), 318-329, 2017 | 40 | 2017 |
| First principles calculation study on surfaces and water interfaces of boron-doped diamond Z Futera, T Watanabe, Y Einaga, Y Tateyama The Journal of Physical Chemistry C 118 (38), 22040-22052, 2014 | 38 | 2014 |
| Estimation of transition-metal empirical parameters for molecular mechanical force fields F Sebesta, V Sláma, J Melcr, Z Futera, JV Burda Journal of chemical theory and computation 12 (8), 3681-3688, 2016 | 35 | 2016 |
| Life of superoxide in aprotic Li–O 2 battery electrolytes: simulated solvent and counter-ion effects J Scheers, D Lidberg, K Sodeyama, Z Futera, Y Tateyama Physical Chemistry Chemical Physics 18 (15), 9961-9968, 2016 | 35 | 2016 |
| Conjugation of organic-metallic hybrid polymers and calf-thymus DNA J Li, Z Futera, H Li, Y Tateyama, M Higuchi Physical Chemistry Chemical Physics 13 (11), 4839-4841, 2011 | 35 | 2011 |
| Vibrational modes of hydrogen hydrates: A first-principles molecular dynamics and Raman spectra study Z Futera, M Celli, L del Rosso, CJ Burnham, L Ulivi, NJ English The Journal of Physical Chemistry C 121 (7), 3690-3696, 2017 | 34 | 2017 |
| Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: Temperature and cage-occupation effects CJ Burnham, Z Futera, NJ English Physical Chemistry Chemical Physics 19 (1), 717-728, 2017 | 33 | 2017 |
| Adsorption of amino acids on gold: assessing the accuracy of the GolP-CHARMM force field and parametrization of Au–S bonds Z Futera, J Blumberger Journal of Chemical Theory and Computation 15 (1), 613-624, 2018 | 31 | 2018 |
| Formation and properties of water from quartz and hydrogen at high pressure and temperature Z Futera, X Yong, Y Pan, ST John, NJ English Earth and Planetary Science Letters 461, 54-60, 2017 | 28 | 2017 |