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Recent Publications
- Ganguly, Abhisek; Gabbana, Alessandro; Rao, Vybhav; Succi, Sauro, et al. A kinetic-based regularization method for data science applications. MACHINE LEARNING-SCIENCE AND TECHNOLOGY 2025 10.1088/2632-2153/adf93a
- Tran, Brian Kha; Southworth, Benjamin Scott; Cavender, David Brent; Olivier, Samuel Stephen, et al. Nonlinear Splitting for Gradient-Based Unconstrained and Adjoint Optimization. Mathematics of Computation 2025
- Murillo, Jesse; Beltran Leiva, Maria Joaquina; Gray, Novan A. G.; Lussier, Daniel Joseph, et al. Probing f-block covalency at the limits of hard-metal/soft-ligand interactions through chalcogenoether complexes. Journal of the American Chemical Society 2025
- Treyturik, Cole; Braun, Chelsea; Safi-Harb, Samar; Fryer, Christopher Lee, et al. Revisiting the Supernova Engines in the 3C 397 and W49B Supernova Remnants. Monthly Notices of the Royal Astronomical Society 2025
- Rier, Melissa Catherine Fairley; Yu, Zhou; Gonzales, RayVen Ricci; Scott, Brian Lindley, et al. Expanding Lanthanide Betaine Bistriflimide Coordination Chemistry: Observation of monomeric complexes for high Z 4f ions. Chemistry-Sustainability-Energy-Materials (Chem Sus Chem) 2025
- Braghini, Danilo; Shivakumar, Sachin; Peet, Matthew. $H_2$-Optimal Estimation of Linear Delayed and PDE Systems. 2025 https://cnls.lanl.gov/External/pubs/LA-UR-25-28328.pdf
- Wood, Margaret Kathryn; Parikh, Nidhi K.; Miller, Robyn Leigh. Can Pre-Transformer Models with Linguistic Insights Rival Basic Transformers?. 2025 https://cnls.lanl.gov/External/pubs/LA-UR-25-28277.pdf
- Marcato, Agnese; Lombardo Pontillo, Alessio; Versaci, Daniele; Boccardo, Gianluca, et al. Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery. Batteries 2025 https://doi.org/10.3390/batteries11070252
- Sinitsyn, Nikolai; Suzuki, Fumika. Geometric phase in anisotropic Kepler problem: Perspective for realization in Rydberg atoms. Physical Review Letters 2025 10.48550/arXiv.2507.23144
- Freitas, Andre; Woodward, Michael Joseph; Gabbana, Alessandro; Lin, Yen Ting, et al. Learning Lagrangian closure models with physics informed Mori-Zwanzig. 2025
- Pelofske, Elijah; Barrows, Frank Patrick; Sathe, Pratik Sunil; Nisoli, Cristiano. Magnetic Hysteresis Experiments Performed on Quantum Annealers. Science 2025 10.48550/arXiv.2506.17418
- Suzuki, Fumika; Li, Ying Wai; Zurek, Wojciech Hubert. Machine learning topological defect formation. Nature Physics 2025 10.48550/arXiv.2508.20347
- Marcato, Agnese; Pachalieva, Aleksandra Atanasova; Hill, Ryley Graham; Gao, Kai, et al. A Foundation Model for Material Failure Prediction. Nature Materials 2025
- Barrows, Frank Patrick; Pelofske, Elijah Autumn Rain; Sathe, Pratik Sunil; Caravelli, Francesco, et al. Quantum Transitions Produce Classical Magnetic Memory. Physical Review X 2025 10.48550/arXiv.2507.18079
- Scheie, Allen O.; Li, Sabrina J.; Wilson, Stephen D.; Rehn, Daniel A.. Explaining the extra crystal-field mode in ACeX2 (A = K, Rb, Na; X = O, S, Se, Te). PHYSICAL REVIEW B 2025 10.1103/4ps1-y3pk
- Kazi, Saif Rahaman; Biegler, Lorenz T.; Wang, Kexin. On Optimal Control of Hybrid Dynamical Systems using Complementarity Constraints. 2025 10.1016/j.jprocont.2025.103492
- Larocca, Martin; Havlicek, Vojtech. Quantum Algorithms for Representation-Theoretic Multiplicities. PHYSICAL REVIEW LETTERS 2025 10.1103/k5tx-xtr3
- Malone, Michael W.; Mason, Harris E.; Altenhof, Adam R.; Espy, Michelle A., et al. Standoff detection of fentanyl hydrochloride via nuclear quadrupole resonance: A multimodality pursuit. PNAS NEXUS 2023 10.1093/pnasnexus/pgaf190
- Sarkar, Siddhartha; Wan, Xiaohan; Lin, Shi-Zeng; Sun, Kai. Symmetry-Based Classification of Exact Flat Bands in Single and Bilayer Moire Systems. PHYSICAL REVIEW LETTERS 2025 10.1103/nys8-5mg2
- de Wit, Xander Milan; Gabbana, Alessandro; Woodward, Michael Joseph; Lin, Yen Ting, et al. Is memory all you need? Data-driven Mori-Zwanzig modeling of Lagrangian particle dynamics in turbulent flows. Nature Machine Intelligence 2025 10.48550/arXiv.2507.16058
- Aryal, Sandip; Wang, Gaoxue; Yang, Ping; Batista, Enrique Ricardo. Charged defects formation and migration in PuO2 from first-principles calculations. ACS Applied Materials & 2025
- Barrows, Frank Patrick; Caravelli, Francesco; Lin, Jonathan; Desai, Padmanabh Aman, et al. A unifying approach to self-organizing intelligent systems interacting via local conservation laws. Proceedings of the National Academy of Sciences of the United States of America 2025 10.48550/arXiv.2507.02575
- Fryer, Christopher L.; Burns, Eric; Ho, Anna Y. Q.; Corsi, Alessandra, et al. Explaining Nonmerger Gamma-Ray Bursts and Broad-lined Supernovae with Close Binary Progenitors with Black Hole Central Engines. ASTROPHYSICAL JOURNAL 2025 10.3847/1538-4357/add474
- West, Maxwell; Mele, Antonio Anna; Larocca, Martin; Cerezo, M.. Real classical shadows. JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL 2025 10.1088/1751-8121/addfc2
- Gates, Delilah E.A.; Truong, Chau; Sahu, Amrita; Cárdenas-Avendaño, Alejandro. Morphology of relativistically broadened line emission from axisymmetric equatorial accretion disks. Physical Review D 2025 10.1103/PhysRevD.111.124004
- Larocca, Martin; Cerezo de la Roca, Marco Vinicio Sebastian; West, Maxwell Terrence; Garcia Martin, Diego, et al. No-go theorems for sublinear-depth group designs. Nature Physics 2025 10.48550/arXiv.2506.16005
- Diaz, Nahuel Luciano; Rossignoli, Raul. Spacetime quantum mechanics for bosonic and fermionic systems. PRX quantum 2025 10.48550/arXiv.2506.10250
- Tannous, Jaad A.; Misch, G. Wendell; Mumpower, Matthew R.; Meyer, Bradley S., et al. Inclusion of Isomers/Astromers in s-process Nucleosynthesis: The Pivotal Case of 85Kr. ASTROPHYSICAL JOURNAL 2025 10.3847/1538-4357/adda3c
- Redondo-Yuste, Jaime; Cardenas-Avendano, Alejandro. Perturbative and nonlinear analyses of gravitational turbulence in spacetimes with stable light rings. PHYSICAL REVIEW D 2025 10.1103/hy3r-ww3w
- Barrows, Frank Patrick; Caravelli, Francesco; Li, Hao; Peerla, Rizwan S., et al. Voltage-Controlled Oscillator and Memristor-Based Analog Computing for Solving Systems of Linear Equations. IEEE Transactions on Circuits and Systems. Part 1: Regular Papers 2025 10.48550/arXiv.2506.09392
- Gonzalez-Conde, Javier; Morrell, Zachary; Vuffray, Marc; Albash, Tameem, et al. Cost of emulating a small quantum annealing problem in the circuit model. PHYSICAL REVIEW A 2025 10.1103/PhysRevA.111.062606
- Barrows, Frank Patrick; Caravelli, Francesco; Lin, Jonathan. Memristive Linear Algebra. Physical Review Research 2025 10.48550/arXiv.2407.20539
- Barrows, F.; Sheldon, F. C.; Caravelli, F.. Network analysis of memristive device circuits: dynamics, stability and correlations. JOURNAL OF PHYSICS-COMPLEXITY 2025 10.1088/2632-072X/adb11e
- Vu, Minh Nhat; Thai, My Tra; Nguyen, Quan Minh; Nguyen, Truc. Theoretically Unmasking Inference Attacks Against LDP-Protected Clients in Federated Vision Models. 2025 https://cnls.lanl.gov/Externals/pubs/LA-UR-25-24697.pdf
- Scheie, Allen Olaf; Wilson, Stephen; Li, Sabrina Jiayin; Rehn, Daniel Adam. Explaining the extra crystal field mode in ACeX2. Physical Review B 2025 10.48550/arXiv.2505.18089
- Tran, Brian Kha; Southworth, Benjamin Scott; Blumhoefer, Hannah F.; Olivier, Samuel Stephen. Preconditioning Transformations of Adjoint Systems for Evolution Equations. Journal of Nonlinear Science 2025 10.48550/arXiv.2505.21705
- Keeble, Lennox S.; Cardenas-Avendano, Alejandro; Palumbo, Daniel C. M.. Inferring black hole spin from interferometric measurements of the first photon ring: A geometric approach. PHYSICAL REVIEW D 2025 10.1103/PhysRevD.111.103042
- Zollicoffer, Geigh Marcel; Vu, Minh Nhat; Bhattarai, Manish. Surprise to Hallucination: Detection of Failures in Vision-Language Models via Multi-token Aggregation. 2025 https://cnls.lanl.gov/Externals/pubs/LA-UR-25-24783.pdf
- Estrada Santos, Javier Andres; Marcato, Agnese; Colman, Roman James; Lubbers, Nicholas Edward, et al. Discrete Spatial Diffusion. Neural Information Processing Systems Proceedings 2025 10.48550/arXiv.2505.01917
- Benomio, Gabriele; Cárdenas-Avendaño, Alejandro; Pretorius, Frans; Sullivan, Andrew. Turbulence for spacetimes with stable trapping. Physical Review D 2025 10.1103/PhysRevD.111.104037
- Fedik, Nikita; Li, Wei; Lubbers, Nicholas; Nebgen, Benjamin, et al. Challenges and opportunities for machine learning potentials in transition path sampling: alanine dipeptide and azobenzene studies. DIGITAL DISCOVERY 2025 10.1039/d4dd00265b
- Tovar, Eric Joseph; Clayton, Bennett Giles; Dzanic, Tarik. Second-order invariant-domain preserving approximation to the multi-species Euler Equations. Journal of Computational Physics 2025 10.48550/arXiv.2505.09581
- Estrada Santos, Javier Andres; Lubbers, Nicholas Edward. Reply to: Dependency on Global Field Data Hinders the Senseiver for Field Reconstruction from Sparse Observations. nature machine intelligence: matters arising 2025
- Woodward, Michael Joseph; Lin, Yen Ting; Tian, Yifeng; Hader, Christoph, et al. Mori--Zwanzig mode decomposition: Comparing Mori--Zwanzig memory to time-delay embeddings. Journal of Fluid Mechanics 2025
- Levati, Edoardo; Cardenas-Avendano, Alejandro; Destounis, Kyriakos; Pani, Paolo. Cumulative effect of orbital resonances in extreme-mass-ratio inspirals. PHYSICAL REVIEW D 2025 10.1103/PhysRevD.111.104006
- Yao, Shukai; Wang, Gaoxue; Batista, Enrique R.; Yang, Ping. Defect-Promoted Catalytic Conversion of Carbon Monoxide to Methanol on ThO2 Surfaces. ACS APPLIED MATERIALS & INTERFACES 2025 10.1021/acsami.5c03214
- Zhang, Shuhao; Chigaev, Michael; Isayev, Olexandr; Messerly, Richard A., et al. Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry. JOURNAL OF CHEMICAL INFORMATION AND MODELING 2025 10.1021/acs.jcim.5c00341
- Beltran-Leiva, Maria J.; Batista, Enrique R.; Yang, Ping. Unlocking Novel δ and φ Bonding Modes in Actinides via Oxidation State Control. JACS Au 2025 10.1021/jacsau.4c01277
- Gabbana, Alessandro; Fei, Linlin; de Wit, Xander Milan; Wang, Ziqi, et al. Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations. Procedia Computer Science 2025
- Ambrus, Victor E; Bellantoni, Elisa; Busuioc, Sergiu; Gabbana, Alessandro, et al. Vielbein Lattice Boltzmann approach for fluid flows on spherical surfaces. Physical Review E 2025 10.48550/arXiv.2504.15574
- Freixas, Victor M.; Oldani, Nicolas; Alfonso-Hernandez, Laura; Ondarse-Alvarez, Dianelys, et al. Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2025 10.1021/acs.jpclett.5c00746
- Chen, Renai; Gibson, Tammie Renee; Craven, Galen Thomas. Molecular heat transport across a time-periodic temperature gradient. Journal of Chemical Physics 2025 10.1063/5.0204819
- Suzuki, Fumika; Malla, Rajesh; Sinitsyn, Nikolai. Competing Bosonic Reactions: Insight from Exactly Solvable Time-Dependent Models. Physical Review A 2025 10.1103/68zs-gv5y
- Kunwar, Pradip; Vu, Minh Nhat; Gupta,Maanak; Abdelsalam,Mahmoud, et al. TT-LoRA MoE: Unifying Parameter-Efficient Fine-Tuning and Sparse Mixture-of-Experts. 2025 https://cnls.lanl.gov/Externals/pubs/LA-UR-25-23693.pdf
- Subramanyan, Varsha; Lin, Shi Zeng; Saxena, Avadh. Geometric transport signatures of strained multi-Weyl semimetals. Physical Review B 2025 10.1103/PhysRevB.111.165130
- Teter, Alexis M. H.; Wang, Wenqing; Shivakumar, Sachin; Halder, Abhishek. Markov Kernels, Distances and Optimal Control: A Parable of Linear Quadratic Non-Gaussian Distribution Steering. IEEE Transactions on Automatic Control 2025 10.48550/arXiv.2504.15753
- Sathe, Pratik Sunil; King, Andrew D; Mniszewski, Susan M.; Coffrin, Carleton James, et al. A Quantum Annealing Approach to Classical Phase Transitions. Nature Physics 2025
- Eyles-Ferris, R.A.J.; Fryer, Christopher Lee. The kangaroo’s first hop: the early fast cooling phase of EP250108a/SN 2025kg. Astrophysical Journal 2025 10.48550/arXiv.2504.08886
- Rastinejad, Jillian C.; Fryer, Christopher Lee. EP250108a/SN 2025kg: Observations of the most nearby Broad-Line Type Ic Supernova Following an Einstein Probe Fast X-ray Transient. Astrophysical Journal 2025 10.48550/arXiv.2504.08889
- Perez, Danny; Yu, Zhou; Batista, Enrique Ricardo; Yang, Ping. Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics. Journal of Chemical Theory and Computation 2025 https://doi.org/10.1021/acs.jctc.3c01381
- Jones, Samuel William; Pignatari, Marco; Amari, Sachiko; Hoppe, Peter, et al. Production of radioactive 22Na in core-collapse supernovae: the Ne-E(L) component in presolar grains and its possible consequences on supernova observations. Astrophysical Journal 2025
- Buvoli, Tommaso; Tran, Brian Kha; Southworth, Benjamin Scott. Multirate Runge-Kutta for Nonlinear Partitions. SIAM Journal on Scientific Computing 2025 10.48550/arXiv.2504.03257
- Klass, Friedemann; Gabbana, Alessandro; Bartel, Andreas. Perfectly Matched Layers and Characteristic Boundaries in Lattice Boltzmann: Accuracy vs Cost. AIAA Journal 2025 10.2514/1.J064563
- Volponi, Sabrina N.; Pachalieva, Aleksandra A.; Bolster, Diogo; Sweeney, Matthew R., et al. Characterizing the impact of finite matrix block size on conservative particle transport through three-dimensional fracture networks. JOURNAL OF HYDROLOGY 2025 10.1016/j.jhydrol.2024.132462
- Larocca, Martin; Thanasilp, Supanut; Wang, Samson; Sharma, Kunal, et al. Barren plateaus in variational quantum computing. NATURE REVIEWS PHYSICS 2025 10.1038/s42254-025-00813-9
- Skowronek, E. Olga; Baker, Luke S.; Ahmed, Reza; Marvi, Hamid. Model-predictive optimal control of ferrofluidic microrobots in three-dimensional space. International Journal of Robotics Research 2025 10.1177/02783649241285051
- Klass, Friedemann; Gabbana, Alessandro; Bartel, Andreas. Perfectly Matched Layers and Characteristic Boundaries in Lattice Boltzmann: Accuracy vs Cost. AIAA Journal 2025 10.2514/1.J064563
- Huang, Yunshen; Vu, Minh Thanh; He, Wenbo; Zeng, Shen. Rapid Attitude Controller Design Enabled by Flight Data. ASME Letters in Dynamic Systems and Control 2025 10.1115/1.4067186
- Jahin, Ammar; Zhang, Hao; Halasz, Gabor B.; Lin, Shi-Zeng. Quasiparticle Interference in Kitaev Quantum Spin Liquids. PHYSICAL REVIEW LETTERS 2025 10.1103/PhysRevLett.134.126501
- Tyagi, Neha; Walker, Dejuante W.; Young, Charles D.; Sing, Charles E.. Hydrodynamically Enhanced Brownian Motion in Flowing Polymer Solutions. ACS MACRO LETTERS 2025 10.1021/acsmacrolett.5c00016
- Hill, Ryley Graham; Gao, Kai; Marcato, Agnese; Pachalieva, Aleksandra Atanasova, et al. Developing a Foundation Model for Predicting Material Failure. Scientific Data 2025
- Yuan, Mingbin; Tufekci, Burak A.; Xu, Jinheng; Foreman, Kathryn, et al. Structural and Electronic Properties of Anionic (ThO2)n- (n = 2-4) Clusters. Inorganic Chemistry 2025 10.1021/acs.inorgchem.4c04954
- Aryal, Sandip; Wang, Gaoxue; Batista, Enrique Ricardo. Investigation of the Properties of Stoichiometric and Non-stoichiometric Cesium Potassium Antimonide from First-Principles. Journal of Physics and Chemistry of Solids 2025
- Tran, Brian k.; Southworth, Ben s.; Buvoli, Tommaso. ORDER CONDITIONS FOR NONLINEARLY PARTITIONED RUNGE-KUTTA METHODS. ELECTRONIC TRANSACTIONS ON NUMERICAL ANALYSIS 2025 10.1553/etna_vol63s171
- Suzuki, Fumika; Sinitsyn, Nikolai. Geometric adiabatic angle in anisotropic oscillator. American Journal of Physics 2025 10.48550/arXiv.2506.00559
- Cheong, Patrick Chi-Kit; Tsokaros, Antonios; Ruiz, Milton; Venturi, Fabrizio, et al. General-relativistic resistive-magnetohydrodynamics simulations of self- consistent magnetized rotating neutron stars. PHYSICAL REVIEW D 2025 10.1103/PhysRevD.111.063030
- Ristic, Marko; O' Shaughnessy, Richard; Wagner, Kate, et al. Joint Electromagnetic and Gravitational Wave Inference of Binary Neutron Star Merger GW170817 Using Forward-Modeling Ejecta Predictions. Physical Review Research 2025 10.48550/arXiv.2503.12320
- Tovar, Eric Joseph; Clayton, Bennett Giles. Approximation technique for preserving the minimum principle on the entropy for the compressible Euler equations. SIAM Journal on Scientific Computing 2025 10.48550/arXiv.2503.10612
- Sharma, Vidushi; White, Alexander J.. Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma. Physical Review Letters 2025 10.1103/PhysRevLett.134.095102
- Parker, Robert Brunato; Naik, Sakshi; Ghilardi, Lavinia; Biegler, Lorenz T.. Multistage Economic MPC for Systems with a Cyclic Steady State: A Gas Network Case Study. Journal of Process Control 2025 10.48550/arXiv.2503.04622
- Tyagi, Bhavay; Suzuki, Fumika; Chernyak, Vladimir A.; Sinitsyn, Nikolai A.. Asymmetry amplification by a nonadiabatic passage through a critical point. Physical Review A 2025 10.1103/PhysRevA.111.032205
- Tran, Brian K.; Leok, Melvin. A Type II Hamiltonian Variational Principle and Adjoint Systems for Lie Groups. JOURNAL OF DYNAMICAL AND CONTROL SYSTEMS 2025 10.1007/s10883-025-09730-7
- Schimming, Cody D.; Reichhardt, C. J.O.; Reichhardt, C.. Turbulence-to-order transitions in activity-patterned active nematics. Physical Review E 2025 10.1103/PhysRevE.111.035404
- Reichhardt, C.; Reichhardt, C. J.O.. Depinning, melting, and sliding of generalized Wigner crystals in Moiré systems. Physical Review Research 2025 10.1103/PhysRevResearch.7.013155
- Vijayvargia, Aayush; Zhang, Hao; Barros, Kipton; Lin, Shi Zeng, et al. Electric field driven spin textures in heavy fermion van der Waals magnets. Physical Review B 2025 10.1103/PhysRevB.111.094404
- Paes de Lima, Andre Luiz; Baker, Luke Silas; Harter, Andrew Kent; Martin, Michael Joseph, et al. Robust Quantum State Generation in Symmetric Spin Networks. 2025
- Cerezo de la Roca, Marco Vinicio Sebastian; Mele, Antonio Ana; Leone, Lorenzo; Bermejo, Pablo, et al. Clifford Fourier decompositions are magic. Quantum 2025
- Cerezo de la Roca, Marco Vinicio Sebastian; Bermejo, Pablo; Braccia, Paolo; Mele, Antonio Ana, et al. Characterizing quantum resourcefulness via group-Fourier decompositiions. Nature Communications 2025 10.48550/arXiv.2506.19696
- Barthe, Alice; Cerezo, M.; Sornborger, Andrew T.; Larocca, Martín, et al. Gate-Based Quantum Simulation of Gaussian Bosonic Circuits on Exponentially Many Modes. Physical Review Letters 2025 10.1103/PhysRevLett.134.070604
- Adamietz, Falk; Arndt, Markus; Brand, Christian; Suzuki, Fumika, et al. Retardation based matter-wave interferometer for gravitational waves with graphene. Physical Review D 2025
- Ganguly, Abhisek; Gabbana, Alessandro; Rao, Vybhav; Succi, Sauro, et al. A kinetic-based regularization method for data science applications. Physical Review Research 2025 10.48550/arXiv.2503.04857
- Desire, Tejahni; Cardenas-Avendano, Alejandro; Chael, Andrew. Multifrequency Models of Black Hole Photon Rings from Low-luminosity Accretion Disks. ASTROPHYSICAL JOURNAL 2025 10.3847/1538-4357/adac4d
- Parker, Robert Brunato; Bent, Russell Whitford; Naik, Sakshi; Biegler, Lorenz T.. Variable aggregation for nonlinear optimization problems. Mathematical Programming Computation 2025 10.48550/arXiv.2502.13869
- Braccia, Paolo; Diaz, Nahuel Luciano; Larocca, Martin; Cerezo de la Roca, Marco Vinicio Sebastian, et al. Haar random fermionic linear optics circuits. Quantum 2025 10.48550/arXiv.2505.24212
- Davis, Megan Christina; de Melo Kort-Kamp, Wilton Junior; Gonzales, Ivana; Holby, Edward F.. Design of Amine-Functionalized Materials for Direct Air Capture Using Integrated High-Throughput Calculations and Machine Learning. Journal of the American Chemical Society 2025 10.48550/arXiv.2410.13982
- Ortali, Giulio; Gabbana, Alessandro; Atmodimedjo, Imre; Corbetta, Alessandro. Enhancing Lattice Kinetic Schemes for Fluid Dynamics with Lattice-Equivariant Neural Networks. AIAA Journal 2025 10.2514/1.J064453
- Souza, J. C.Bellizotti; Vizarim, N. P.; Reichhardt, C. J.O.; Reichhardt, C., et al. Skyrmion molecular crystals and superlattices on triangular substrates. Physical Review B 2025 10.1103/PhysRevB.111.054402
- Ortali, Giulio; Gabbana, Alessandro; Atmodimedjo, Imre; Corbetta, Alessandro. Enhancing Lattice Kinetic Schemes for Fluid Dynamics with Lattice-Equivariant Neural Networks. AIAA Journal 2025 10.2514/1.J064453
- Burrill, Daniel J.; Liu, Chang; Taylor, Michael G.; Cawkwell, Marc J., et al. MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2025 10.1021/acs.jctc.4c00858
- dos Santos, Luan G. F.; Nebgen, Benjamin T.; Allen, Alice E. A.; Hamilton, Brenden W., et al. Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation. JOURNAL OF CHEMICAL INFORMATION AND MODELING 2025 10.1021/acs.jcim.4c01847
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