Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy von Kamath, Aditya, Vargas-Hernández, Rodrigo A., Krems, Roman V., Carrington, Tucker, Manzhos, Sergei

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Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches To Represent High-Dimensional Potential Energy Surfaces von Qu, Chen, Yu, Qi, Van Hoozen, Brian L, Bowman, Joel M, Vargas-Hernández, Rodrigo A

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Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation von Vargas–Hernández, Rodrigo A., Jorner, Kjell, Pollice, Robert, Aspuru–Guzik, Alán

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Extrapolating Quantum Observables with Machine Learning: Inferring Multiple Phase Transitions from Properties of a Single Phase von Vargas-Hernández, Rodrigo A, Sous, John, Berciu, Mona, Krems, Roman V

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Six-dimensional potential energy surface for NaK–NaK collisions: Gaussian process representation with correct asymptotic form von Christianen, Arthur, Karman, Tijs, Vargas-Hernández, Rodrigo A., Groenenboom, Gerrit C., Krems, Roman V.

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Multi-objective optimization for retinal photoisomerization models with respect to experimental observables von Vargas-Hernández, Rodrigo A., Chuang, Chern, Brumer, Paul

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A Modular and Affordable Time-Lapse Imaging and Incubation System Based on 3D-Printed Parts, a Smartphone, and Off-The-Shelf Electronics von Hernández Vera, Rodrigo, Schwan, Emil, Fatsis-Kavalopoulos, Nikos, Kreuger, Johan

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Nanoscale dosimetry for a radioisotope‐labeled metal nanoparticle using MCNP6.2 and Geant4 von Kim, Taeyun, Millares, Rodrigo Hernández, Kim, Taewan, Eom, Mingi, Kim, Jiwon, Ye, Sung‐Joon

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Recommendations for the imaging assessment of prosthetic heart valves: a report from the European Association of Cardiovascular Imaging endorsed by the Chinese Society of Echocardi... von Lancellotti, Patrizio, Pibarot, Philippe, Chambers, John, Edvardsen, Thor, Delgado, Victoria, Dulgheru, Raluca, Pepi, Mauro, Cosyns, Bernard, Dweck, Mark R, Garbi, Madalina, Magne, Julien, Nieman, Koen, Rosenhek, Raphael, Bernard, Anne, Lowenstein, Jorge, Vieira, Marcelo Luiz Campos, Rabischoffsky, Arnaldo, Vyhmeister, Rodrigo Hernández, Zhou, Xiao, Zhang, Yun, Zamorano, Jose-Luis, Habib, Gilbert

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Building IoT Visualizations Using Grafana: Power up Your IoT Projects and Monitor with Prometheus, LibreNMS, and Elasticsearch von Juan Hernandez, Rodrigo

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Neural Network-Based Self-Tuning PID Control for Underwater Vehicles von Hernández-Alvarado, Rodrigo, García-Valdovinos, Luis Govinda, Salgado-Jiménez, Tomás, Gómez-Espinosa, Alfonso, Fonseca-Navarro, Fernando

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How convex is a lens map? von Ahumada, Vicente, Behm, Eduardo, Hernández, Rodrigo, Pérez, Dubalio

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Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks von Pablo-García, Sergio, Morandi, Santiago, Vargas-Hernández, Rodrigo A, Jorner, Kjell, Ivković, Žarko, López, Núria, Aspuru-Guzik, Alán

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On the convolution of convex 2-gons von Chuaqui, Martin, Hernández, Rodrigo, Llinares, Adrián, Mas, Alejandro

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Analysing the effect caused by increasing the molecular volume in M1-AChR receptor agonists and antagonists: a structural and computational study von Montejo-López, Wilber, Sampieri-Cabrera, Raúl, Nicolás-Vázquez, María Inés, Aceves-Hernández, Juan Manuel, Razo-Hernández, Rodrigo Said

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Generation of intense, polarization-controlled magnetic fields with non-paraxial structured laser beams von Martín-Domene, Sergio, Sánchez-Tejerina, Luis, Martín-Hernández, Rodrigo, Hernández-García, Carlos

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Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches von Franco, Lizeth, Bonfil-Rivera, Iván A., Huan Lew-Yee, Juan Felipe, Piris, Mario, M. del Campo, Jorge, Vargas-Hernández, Rodrigo A.

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Stereocontrolled Synthesis of Enantiopure cis-Fused Octahydroisoindolones via Chiral Oxazoloisoindolone Lactams von Marbán-González, Alberto, Maravilla-Moreno, Gaspar, Vazquez-Chavez, Josué, Hernández-Rodríguez, Marcos, Razo-Hernández, Rodrigo Said, Ordóñez, Mario, Viveros-Ceballos, José Luis

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Fully differentiable optimization protocols for non-equilibrium steady states von Vargas-Hernández, Rodrigo A, Chen, Ricky T Q, Jung, Kenneth A, Brumer, Paul

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Revealing the Structural Contributions to Thermal Adaptation of the TATA-Box Binding Protein: Molecular Dynamics and QSPR Analyses von Santiago, Ángel, Razo-Hernández, Rodrigo Said, Pastor, Nina

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