| The atomic simulation environment—a Python library for working with atoms AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ... Journal of Physics: Condensed Matter 29 (27), 273002, 2017 | 4008 | 2017 |
| Tunable intrinsic strain in two-dimensional transition metal electrocatalysts L Wang, Z Zeng, W Gao, T Maxson, D Raciti, M Giroux, X Pan, C Wang, ... Science 363 (6429), 870-874, 2019 | 490 | 2019 |
| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (160), 092503, 2024 | 86 | 2024 |
| Graph theory approach to determine configurations of multidentate and high coverage adsorbates for heterogeneous catalysis S Deshpande, T Maxson, J Greeley npj Computational Materials 6 (1), 2020 | 58 | 2020 |
| Diversity and uniformity in anion-π complexes of thiocyanate with the aromatic, olefinic and quinoidal π-acceptors. J Wilson, T Maxson, I Wright, M Zeller, S Rosokha Dalton Transactions, 2020 | 23 | 2020 |
| Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions T Maxson, AS Jalilov, M Zeller, SV Rosokha Angewandte Chemie International Edition 59 (39), 17197-17201, 2020 | 16 | 2020 |
| Transferable Water Potentials Using Equivariant Neural Networks T Maxson, T Szilvási The Journal of Physical Chemistry Letters 15 (14), 3740-3747, 2024 | 10 | 2024 |
| Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices T Maxson, A Soyemi, BWJ Chen, T Szilvási The Journal of Physical Chemistry C 128 (16), 6524-6537, 2024 | 5 | 2024 |
| Selective vapor-phase formation of dimethylformamide via oxidative coupling of methanol and dimethylamine over bimetallic catalysts AP Minne, T Maxson, T Szilvási, JW Harris Catalysis Science & Technology 14 (6), 1534-1549, 2024 | 4 | 2024 |
| Monte Carlo Molecular Dynamics Simulations to Study Supported Nanoparticles T Maxson, T Szilvasi 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Dimethylformamide Synthesis Via Oxidative Coupling of Methanol and Dimethylamine over Alkali Promoted PdAu/SiO2 Catalysts A Minne, T Maxson, T Szilvasi, JW Harris 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Direct Simulation of Supported Ag Nanoparticles Via Machine Learning Interatomic Potentials T Maxson, T Szilvasi 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Transferable Water Potentials Using Equivariant Machine Learning Interatomic Potentials T Maxson, T Szilvasi 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Development of parallelized hybrid grand canonical Monte Carlo molecular dynamics simulations to study supported nanoparticles T Maxson, T Szilvasi 2024 ACS Spring Meeting, 2024 | | 2024 |
| Simulating nanometer-sized supported Ag nanoparticles under catalytic reaction conditions T Maxson, T Szilvasi 2024 ACS Spring Meeting, 2024 | | 2024 |
| Dimethylformamide synthesis via oxidative coupling of methanol and dimethylamine over bimetallic nanoparticles of varied size A Minne, T Maxson, T Szilvasi, J Harris 2024 ACS Spring Meeting, 2024 | | 2024 |
| Probe the Dynamic Adsorption and Phase Transition of Underpotential Deposition Processes at Electrode–Electrolyte Interfaces KH Chen, F Fathi, T Maxson, M Hossain, E Khisamutdinov, T Szilvási, ... Langmuir 40 (9), 4914-4926, 2024 | | 2024 |
| Training Accurate and Physically Meaningful Machine Learning Force Fields for Water and Understanding Their Transferability T Maxson, T Szilvasi 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Developing Physically Meaningful and Accurate Machine Learning Interatomic Potentials for Catalysis T Maxson, A Soyemi, T Szilvasi 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Benchmark Simulation of Ag Nanoparticles on Supported Graphene Substrates T Maxson, T Szilvasi 2023 AIChE Annual Meeting, 2023 | | 2023 |
Jeffrey GreeleyPurdue UniversityVerified email at purdue.edu