Experimental and DFT insights into elastic, magnetic, electrical, and thermodynamic properties of MAB‐phase Fe2AlB2 von Bai, Yuelei, Qi, Xinxin, He, Xiaodong, Song, Guangping, Zheng, Yongting, Hao, Bingbing, Yin, Hang, Gao, Jin, Ian Duff, Andrew

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Ab initio vibrational free energies including anharmonicity for multicomponent alloys von Grabowski, Blazej, Ikeda, Yuji, Srinivasan, Prashanth, Körmann, Fritz, Freysoldt, Christoph, Duff, Andrew Ian, Shapeev, Alexander, Neugebauer, Jörg

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Performance of two complementary machine-learned potentials in modelling chemically complex systems von Gubaev, Konstantin, Zaverkin, Viktor, Srinivasan, Prashanth, Duff, Andrew Ian, Kästner, Johannes, Grabowski, Blazej

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Experimental and DFT insights into elastic, magnetic, electrical, and thermodynamic properties of MAB‐phase Fe 2 AlB 2 von Bai, Yuelei, Qi, Xinxin, He, Xiaodong, Song, Guangping, Zheng, Yongting, Hao, Bingbing, Yin, Hang, Gao, Jin, Ian Duff, Andrew

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MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code von Duff, Andrew Ian

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Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr2AlB2, Cr3AlB4, and Cr4AlB6 von Bai, Yuelei, Qi, Xinxin, He, Xiaodong, Sun, Dongdong, Kong, Fanyu, Zheng, Yongting, Wang, Rongguo, Duff, Andrew Ian

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Rapid synthesis, electrical, and mechanical properties of polycrystalline Fe2AlB2 bulk from elemental powders von Li, Ning, Bai, Yuelei, Wang, Shuai, Zheng, Yongting, Kong, Fanyu, Qi, Xinxin, Wang, Rongguo, He, Xiaodong, Duff, Andrew Ian

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Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr 2 AlB 2 , Cr 3 AlB 4 , and Cr 4 AlB 6 von Bai, Yuelei, Qi, Xinxin, He, Xiaodong, Sun, Dongdong, Kong, Fanyu, Zheng, Yongting, Wang, Rongguo, Duff, Andrew Ian

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Automated potential development workflow: Application to BaZrO3 von Duff, Andrew Ian, Sakidja, Ridwan, Walker, Helen C., Ewings, Russell A., Voneshen, David

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Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC von Duff, Andrew Ian, Davey, Theresa, Korbmacher, Dominique, Glensk, Albert, Grabowski, Blazej, Neugebauer, Jörg, Finnis, Michael W.

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Model for the Simulation of the CnEm Nonionic Surfactant Family Derived from Recent Experimental Results von Johnston, Michael A, Duff, Andrew Ian, Anderson, Richard L, Swope, William C

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Development of the RF-MEAM Interatomic Potential for the Fe-C System to Study the Temperature-Dependent Elastic Properties von Risal, Sandesh, Singh, Navdeep, Duff, Andrew Ian, Yao, Yan, Sun, Li, Risal, Samprash, Zhu, Weihang

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Thermal shock behavior of Ti2AlC from 200°C to 1400°C von Bai, Yuelei, Kong, Fanyu, He, Xiaodong, Li, Ning, Qi, Xinxin, Zheng, Yongting, Zhu, Chuncheng, Wang, Rongguo, Duff, Andrew Ian

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Challenge to Reconcile Experimental Micellar Properties of the CnEm Nonionic Surfactant Family von Swope, William C, Johnston, Michael A, Duff, Andrew Ian, McDonagh, James L, Anderson, Richard L, Alva, Gabriela, Tek, Andy T, Maschino, Alexander P

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Model for the Simulation of the C n E m Nonionic Surfactant Family Derived from Recent Experimental Results von Johnston, Michael A, Duff, Andrew Ian, Anderson, Richard L, Swope, William C

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Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic a b   i n i t i o study aided by machine learning potentials von Zhou, Ying, Srinivasan, Prashanth, Körmann, Fritz, Grabowski, Blazej, Smith, Roger, Goddard, Pooja, Duff, Andrew Ian

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Rapid synthesis, electrical, and mechanical properties of polycrystalline Fe 2 AlB 2 bulk from elemental powders von Li, Ning, Bai, Yuelei, Wang, Shuai, Zheng, Yongting, Kong, Fanyu, Qi, Xinxin, Wang, Rongguo, He, Xiaodong, Duff, Andrew Ian

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Thermal shock behavior of Ti 2 AlC from 200°C to 1400°C von Bai, Yuelei, Kong, Fanyu, He, Xiaodong, Li, Ning, Qi, Xinxin, Zheng, Yongting, Zhu, Chuncheng, Wang, Rongguo, Duff, Andrew Ian

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MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code von Duff, Andrew Ian, Finnis, M.W., Maugis, Philippe, Thijsse, Barend J., Sluiter, Marcel H.F.

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Understanding and controlling indium incorporation and surface segregation on In x Ga 1 − x N surfaces: An ab initio approach von Duff, Andrew Ian, Lymperakis, Liverios, Neugebauer, Jörg

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