| Ab initio theory and modeling of water M Chen, HY Ko, RC Remsing, MF Calegari Andrade, B Santra, Z Sun, ... Proceedings of the National Academy of Sciences 114 (41), 10846-10851, 2017 | 373 | 2017 |
| Free energy of proton transfer at the water–TiO 2 interface from ab initio deep potential molecular dynamics MFC Andrade, HY Ko, L Zhang, R Car, A Selloni Chemical Science 11 (9), 2335-2341, 2020 | 168 | 2020 |
| Raman spectrum and polarizability of liquid water from deep neural networks GM Sommers, MFC Andrade, L Zhang, H Wang, R Car Physical Chemistry Chemical Physics 22 (19), 10592-10602, 2020 | 114 | 2020 |
| When do short-range atomistic machine-learning models fall short? S Yue, MC Muniz, MF Calegari Andrade, L Zhang, R Car, ... The Journal of Chemical Physics 154 (3), 2021 | 92 | 2021 |
| Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO2 MF Calegari Andrade, HY Ko, R Car, A Selloni The journal of physical chemistry letters 9 (23), 6716-6721, 2018 | 87 | 2018 |
| Lipase immobilized on polydopamine-coated magnetite nanoparticles for biodiesel production from soybean oil MFC Andrade, ALA Parussulo, CGCM Netto, LH Andrade, HE Toma Biofuel Research Journal 3 (2), 403-409, 2016 | 55 | 2016 |
| Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics ZK Goldsmith, MFC Andrade, A Selloni Chemical Science 12 (16), 5865-5873, 2021 | 29 | 2021 |
| Water dissociation at the water–rutile TiO2(110) interface from ab initio-based deep neural network simulations B Wen, MF Calegari Andrade, LM Liu, A Selloni Proceedings of the National Academy of Sciences 120 (2), e2212250120, 2023 | 18 | 2023 |
| Structure of disordered phases from ab initio based deep neural network simulations MFC Andrade, A Selloni Physical Review Materials 4 (11), 113803, 2020 | 17 | 2020 |
| Hydrogen dynamics in supercritical water probed by neutron scattering and computer simulations C Andreani, G Romanelli, A Parmentier, R Senesi, AI Kolesnikov, HY Ko, ... The Journal of Physical Chemistry Letters 11 (21), 9461-9467, 2020 | 15 | 2020 |
| Ion dehydration controls adsorption at the micellar interface: Hydrotropic ions FS Lima, MFC Andrade, L Mortara, LG Dias, IM Cuccovia, H Chaimovich Physical Chemistry Chemical Physics 19 (45), 30658-30666, 2017 | 11 | 2017 |
| Experimental mapping of a pH gradient from a positively charged micellar interface to bulk solution CD Lacerda, MFC Andrade, P de Santana Pessoa, FM Prado, PAR Pires, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 611, 125770, 2021 | 8 | 2021 |
| Probing Confinement Effects on the Infrared Spectra of Water with Deep Potential Molecular Dynamics Simulations MF Calegari Andrade, TA Pham The Journal of Physical Chemistry Letters 14 (24), 5560-5566, 2023 | 7 | 2023 |
| Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics L Li, MF Calegari Andrade, R Car, A Selloni, EA Carter The Journal of Physical Chemistry C 127 (20), 9750-9758, 2023 | 5 | 2023 |
| Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics M Calegari Andrade, R Car, A Selloni Proceedings of the National Academy of Sciences 120 (46), e2302468120, 2023 | 4 | 2023 |
| Elucidating the water–anatase TiO2 (101) interface structure using infrared signatures and molecular dynamics CR O’Connor, MF Calegari Andrade, A Selloni, GA Kimmel The Journal of Chemical Physics 159 (10), 2023 | 3 | 2023 |
| High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach HY Ko, MF Calegari Andrade, ZM Sparrow, J Zhang, RA DiStasio Jr Journal of Chemical Theory and Computation 19 (13), 4182-4201, 2023 | 3 | 2023 |
| Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H2 and O2 Evolution F Aydin, MFC Andrade, RS Stinson, A Zagalskaya, D Schwalbe-Koda, ... ACS Applied Materials & Interfaces 15 (14), 17814-17824, 2023 | 2 | 2023 |
| Enhanced hydrogen bonding via epoxide-functionalization restricts mobility in poly(ethylenimine) for CO2 capture S Li, MF Calegari Andrade, AJ Varni, GA Russel-Parks, WA Braunecker, ... Chemical Communications 59 (72), 10737-10740, 2023 | 2 | 2023 |
| The effect of surface coating on iron-oxide nanoparticle arsenic adsorption AL Molloy, MFC Andrade, G Escalera, A Bohloul, C Avendano, VL Colvin, ... MRS Advances 6, 867-874, 2021 | 2 | 2021 |
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Verified email at princeton.edu
