Tristan Maxson

Transferable Water Potentials Using Equivariant Neural Networks.
T. Maxson, T. Szilvási
J. Phys. Chem. Lett. 2024, 15 (14)

Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices.
T. Maxson, A. Soyemi, B.W.J. Chen, T. Szilvási
J. Phys. Chem. C 2024, 128 (16)

Selective Vapor-Phase Formation of Dimethylformamide via Oxidative Coupling of Methanol and Dimethylamine over Bimetallic Catalysts.
A.P. Minne, T. Maxson, T. Szilvási, J.W. Harris
Catal. Sci. Technol. 2024, 14 (6), 1534–1549

Probe the Dynamic Adsorption and Phase Transition of Underpotential Deposition Processes at Electrode–Electrolyte Interfaces.
K.-H. Chen, F. Fathi, T. Maxson, M. Hossain, E. Khisamutdinov, T. Szilvási, X. Zeng, Z. Li
Langmuir 2024, 40 (9)

GPAW: An Open Python Package for Electronic Structure Calculations.
J.J. Mortensen, A.H. Larsen, M. Kuisma, A.V. Ivanov, A. Taghizadeh, A. Peterson, A. Haldar, A.O. Dohn, C. Schäfer, E.Ö. Jónsson, E.D. Hermes, F.A. Nilsson, G. Kastlunger, G. Levi, H. Jónsson, H. Häkkinen, J. Fojt, J. Kangsabanik, J. Sødequist, J. Lehtomäki, J. Heske, J. Enkovaara, K.T. Winther, M. Dulak, M.M. Melander, M. Ovesen, M. Louhivuori, M. Walter, M. Gjerding, O. Lopez-Acevedo, P. Erhart, R. Warmbier, R. Würdemann, S. Kaappa, S. Latini, T.M. Boland, T. Bligaard, T. Skovhus, T. Susi, T. Maxson, T. Rossi, X. Chen, Y.L.A. Schmerwitz, J. Schiøtz, T. Olsen, K.W. Jacobsen, K.S. Thygesen
J. Chem. Phys. 2024, 160 (160)

Graph Theory Approach to Determine Configurations of Multidentate and High Coverage Adsorbates for Heterogeneous Catalysis.
S. Deshpande*, T. Maxson*, J. Greeley
npj Comput. Mater. 2020, 6 (79)
*Contributed equally.

Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo-Benzoquinone with Iodide Anions.
T. Maxson, A.S. Jalilov, M. Zeller, S.V. Rosokha
Angew. Chem. Int. Ed. 2020, 59 (39)

Diversity and Uniformity in Anion Complexes of Thiocyanate with Aromatic, Olefinic and Quinoidal Acceptors.
J. Wilson, T. Maxson, I. Wright, M. Zeller, S.V. Rosokha
Dalton Trans. 2020, 49 (25)

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, J. Greeley
Science 2019, 363 (6429)

The Atomic Simulation Environment—a Python Library for Working with Atoms.
A.H. Larsen, J.J. Mortensen, J. Blomqvist, I.E. Castelli, R. Christensen, M. Dulak, J. Friis, M.N. Groves, B. Hammer, C. Hargus, E.D. Hermes, P.C. Jennings, P.B. Jensen, J. Kermode, J.R. Kitchin, E.L. Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J.B. Maronsson, T. Maxson, T. Olsen, L. Pastewka, A. Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange, K.S. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, K.W. Jacobsen
J. Phys.: Condens. Matter 2017, 29 (27)

Synthesis, Characterization, and Electronic Structure Calculations of Doped Period 4 Metal Tungstates and Their Activity Towards Photodegradation of Methylene Blue
T. Maxson
Master's Thesis, Ball State University, 2021