81. Accelerated Discovery of CH4 Uptake Capacity Metal–Organic Frameworks Using Bayesian Optimization. Issue 3 (3rd February 2022) Authors: Taw, Eric; Neaton, Jeffrey B. Journal: Advanced theory and simulations Issue: Volume 5:Issue 3(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
82. Accelerated Modeling of Lithium Diffusion in Solid State Electrolytes using Artificial Neural Networks. Issue 9 (16th July 2020) Authors: Rao, Karun K.; Yao, Yan; Grabow, Lars C. Journal: Advanced theory and simulations Issue: Volume 3:Issue 9(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
83. Accelerating Heterogeneous Multiscale Simulations of Advanced Materials Properties with Graph‐Based Clustering. Issue 2 (10th December 2020) Authors: Vassaux, Maxime; Gopalakrishnan, Krishnakumar; Sinclair, Robert C.; Richardson, Robin. A.; Coveney, Peter V. Journal: Advanced theory and simulations Issue: Volume 4:Issue 2(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
84. Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica‐Exchange. Issue 1 (27th November 2019) Authors: Wan, Shunzhou; Tresadern, Gary; Pérez‐Benito, Laura; van Vlijmen, Herman; Coveney, Peter V. Journal: Advanced theory and simulations Issue: Volume 3:Issue 1(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
85. Accurate Prediction of Microstructure of Composites using Machine Learning. Issue 2 (22nd December 2022) Authors: Sang, Sheng; Xu, Chen; Fan, Jiadi; Miao, Daniel; Side, Conner; Wang, Ziping Journal: Advanced theory and simulations Issue: Volume 6:Issue 2(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
86. Achieving Predictive Description of Negative Differential Resistance in Molecular Junctions Using a Range‐Separated Hybrid Functional. Issue 1 (12th November 2020) Authors: Bhandari, Srijana; Yamada, Atsushi; Hoskins, Austin; Payne, Jameson; Aksu, Huseyin; Dunietz, Barry D. Journal: Advanced theory and simulations Issue: Volume 4:Issue 1(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
87. Achieving Predictive Description of Negative Differential Resistance in Molecular Junctions Using a Range‐Separated Hybrid Functional. Issue 1 (12th November 2020) Authors: Bhandari, Srijana; Yamada, Atsushi; Hoskins, Austin; Payne, Jameson; Aksu, Huseyin; Dunietz, Barry D. Journal: Advanced theory and simulations Issue: Volume 4:Issue 1(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
88. Activating Inert MXenes for Hydrogen Evolution Reaction via Anchored Metal Centers. Issue 1 (23rd November 2021) Authors: Tahini, Hassan A.; Tan, Xin; Smith, Sean C. Journal: Advanced theory and simulations Issue: Volume 5:Issue 1(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
89. Active Separation Control on Thick Wind Turbine Airfoils by Means of Steady and Unsteady Blowing. Issue 7 (20th May 2019) Authors: Kankatala, Prabhu; Bangga, Galih Journal: Advanced theory and simulations Issue: Volume 2:Issue 7(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
90. Adaptive Backstepping Sliding Mode Tracking Control For Autonomous Underwater Vehicles With Input Quantization. Issue 4 (25th January 2022) Authors: An, Shun; Wang, Longjin; He, Yan; Yuan, Jianping Journal: Advanced theory and simulations Issue: Volume 5:Issue 4(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗