Marcos F Calegari Andrade (Marcos Calegari Andrade)

ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 18

Top Venues

The journal of physical chemistry letters

Chemical science

ACS applied materials & interfaces

Proceedings of the National Academy of Sciences of the United States of America

Princeton University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Princeton University Sep 01 2015

United States

Graduate Student :: Chemistry

Publications

Hyuna Kwon, Marcos F Calegari Andrade, Shane Ardo, Daniel V Esposito, Tuan Anh Pham, Tadashi Ogitsu
Confinement Effects on Proton Transfer in TiO 2 Nanopores from Machine Learning Potential Molecular Dynamics Simulations. ACS applied materials & interfaces 16 (24) (2024)
Margaret L Berrens, Arpan Kundu, Marcos F Calegari Andrade, Tuan Anh Pham, Giulia Galli, Davide Donadio
Nuclear Quantum Effects on the Electronic Structure of Water and Ice. The journal of physical chemistry letters 15 (26) (2024)
Margaret L Berrens, Arpan Kundu, Marcos F Calegari Andrade, Tuan Anh Pham, Giulia Galli, Davide Donadio
Nuclear Quantum Effects on the Electronic Structure of Water and Ice. The journal of physical chemistry letters 15 (26) (2024)
Marcos F Calegari Andrade, Sichi Li, Tuan Anh Pham, Sneha A Akhade, Simon H Pang
Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO 2 capture in liquid ammonia. Chemical science 15 (33) (2024)
Marcos F Calegari Andrade, Sichi Li, Tuan Anh Pham, Sneha A Akhade, Simon H Pang
Machine learning demonstrates the impact of proton transfer and solvent dynamics on CO 2 capture in liquid ammonia. Chemical science 15 (33) (2024)
Marcos F Calegari Andrade, Narayana R Aluru, Tuan Anh Pham
Nonlinear Effects of Hydrophobic Confinement on the Electronic Structure and Dielectric Response of Water. The journal of physical chemistry letters 15 (26) (2024)
Hyuna Kwon, Marcos F Calegari Andrade, Shane Ardo, Daniel V Esposito, Tuan Anh Pham, Tadashi Ogitsu
Confinement Effects on Proton Transfer in TiO 2 Nanopores from Machine Learning Potential Molecular Dynamics Simulations. ACS applied materials & interfaces (2024)
Margaret L Berrens, Arpan Kundu, Marcos F Calegari Andrade, Tuan Anh Pham, Giulia Galli, Davide Donadio
Nuclear Quantum Effects on the Electronic Structure of Water and Ice. The journal of physical chemistry letters (2024)
Marcos F Calegari Andrade, Narayana R Aluru, Tuan Anh Pham
Nonlinear Effects of Hydrophobic Confinement on the Electronic Structure and Dielectric Response of Water. The journal of physical chemistry letters (2024)
Sichi Li, Yoseph Guta, Marcos F Calegari Andrade, Elwin Hunter-Sellars, Amitesh Maiti, Anthony J Varni, Paco Tang, Carsten Sievers, Simon H Pang, Christopher W Jones
Competing Kinetic Consequences of CO 2 on the Oxidative Degradation of Branched Poly(ethylenimine). Journal of the American Chemical Society (2024)
Margaret L Berrens, Arpan Kundu, Marcos F Calegari Andrade, Tuan Anh Pham, Giulia Galli, Davide Donadio
Nuclear Quantum Effects on the Electronic Structure of Water and Ice. The journal of physical chemistry letters 15 (26) (2024)
Marcos F Calegari Andrade, Tuan Anh Pham
Probing Confinement Effects on the Infrared Spectra of Water with Deep Potential Molecular Dynamics Simulations. The journal of physical chemistry letters (2023)
Marcos F Calegari Andrade, Roberto Car, Annabella Selloni
Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (2023)
Hsin-Yu Ko, Marcos F Calegari Andrade, Zachary M Sparrow, Ju-An Zhang, Robert A DiStasio
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach. Journal of chemical theory and computation (2023)
Shuwen Yue, Maria Carolina Muniz, Marcos F Calegari Andrade, Linfeng Zhang, Roberto Car, Athanassios Z Panagiotopoulos
When do short-range atomistic machine-learning models fall short? The Journal of chemical physics 154 (3) (2021)
Zachary K Goldsmith, Marcos F Calegari Andrade, Annabella Selloni
Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics. Chemical science 12 (16) (2021)
Carla Andreani, Giovanni Romanelli, Alexandra Parmentier, Roberto Senesi, Alexander I Kolesnikov, Hsin-Yu Ko, Marcos F Calegari Andrade, Roberto Car
Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations. The journal of physical chemistry letters 11 (21) (2020)
Marcos F Calegari Andrade, Hsin-Yu Ko, Linfeng Zhang, Roberto Car, Annabella Selloni
Free energy of proton transfer at the water-TiO2 interface from ab initio deep potential molecular dynamics. Chemical science 11 (9) (2020)

Marcos F Calegari Andrade.css-eqlu8i{font-size:small;padding-left:4px;} (Marcos Calegari Andrade)

Publication Activity (10 Years)

Top Topics

Top Venues

Marcos F Calegari Andrade (Marcos Calegari Andrade)