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Maria Carolina Muniz
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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
892021
A deep potential model with long-range electrostatic interactions
L Zhang, H Wang, MC Muniz, AZ Panagiotopoulos, R Car
The Journal of Chemical Physics 156 (12), 2022
672022
Vapor–liquid equilibrium of water with the MB-pol many-body potential
MC Muniz, TE Gartner, M Riera, C Knight, S Yue, F Paesani, ...
The Journal of Chemical Physics 154 (21), 2021
382021
Chemical dynamics simulations of CID of peptide ions: comparisons between TIK (H+) 2 and TLK (H+) 2 fragmentation dynamics, and with thermal simulations
Z Homayoon, V Macaluso, A Martin-Somer, MCNB Muniz, I Borges, ...
Physical Chemistry Chemical Physics 20 (5), 3614-3629, 2018
242018
A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water
I Sanchez-Burgos, MC Muniz, JR Espinosa, AZ Panagiotopoulos
The Journal of Chemical Physics 158 (18), 2023
72023
Pronounced changes in atomistic mechanisms for the Cl−+ CH 3 ISN 2 reaction with increasing collision energy
S Pratihar, MCNB Muniz, X Ma, I Borges, WL Hase
Physical Chemistry Chemical Physics 21 (4), 2039-2045, 2019
62019
First-Principles-Based Machine Learning Models for Phase Behavior and Transport Properties of CO2
R Mathur, MC Muniz, S Yue, R Car, AZ Panagiotopoulos
The Journal of Physical Chemistry B, 2023
52023
Neural Network Water Model Based on the MB-Pol Many-Body Potential
MC Muniz, R Car, AZ Panagiotopoulos
The Journal of Physical Chemistry B 127 (42), 9165-9171, 2023
12023
Data from" A Neural Network Water Model Based on the MB-pol Many-Body Potential"
MC Muniz
Princeton University, 2023
2023
First-Principles-Based Machine Learning Models for Fluid Phase Behavior
MCNB Muniz
Princeton University, 2023
2023
Vapor-Liquid Equilibrium and Nucleation Studies of Water from First Principles-Based Machine Learning Models
MCNB Muniz, R Car, A Panagiotopoulos
2022 AIChE Annual Meeting, 2022
2022
Data from" Vapor-liquid equilibrium of water with the MB-pol many-body potential"
MC Muniz, TE Gartner III, M Riera, C Knight, S Yue, F Paesani, ...
Princeton University, 2021
2021
Incorporating Long-Range Interactions in Machine Learning Models of Water and Aqueous Electrolyte Solutions
S Yue, MCNB Muniz, M Andrade, L Zhang, R Car, A Panagiotopoulos
2020 Virtual AIChE Annual Meeting, 2020
2020
Designing machine learning models of water and aqueous electrolyte solutions
M Andrade, R Car, A Panagiotopoulos, L Zhang, S Yue, M Muniz
American Chemical Society SciMeetings 1 (2), 2020
2020
Dinâmica Molecular direta: dissociação induzida por colisões e reações de substituição nucleofílica
MCNB Muniz
2018
Sudden Changes in Atomistic Mechanisms for the Cl-+ CH3I SN2 Reaction with Increasing Collision Energy
MCNB Muniz, S Pratihar, WL Hase, I Borges Jr
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Articles 1–16