961. Molecular Dynamics Simulations of Molten Magnesium Chloride Using Machine‐Learning‐Based Deep Potential. Issue 12 (2nd November 2020) Authors: Liang, Wenshuo; Lu, Guimin; Yu, Jianguo Journal: Advanced theory and simulations Issue: Volume 3:Issue 12(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
962. Molecular Dynamics Simulations of the "Breathing" Phase Transformation of MOF Nanocrystallites. Issue 11 (16th August 2019) Authors: Keupp, Julian; Schmid, Rochus Journal: Advanced theory and simulations Issue: Volume 2:Issue 11(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
963. Molecular Dynamics Simulations on the Flow Behavior of 5CB Liquid Crystal Sandwiched Between Iron Walls. Issue 11 (10th October 2022) Authors: Chen, Hui; Sun, Qilin; Xiao, Guangchun; Chen, Zhaoqiang; Yi, Mingdong; Zhang, Jingjie; Xu, Chonghai Journal: Advanced theory and simulations Issue: Volume 5:Issue 11(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
964. Molecular Engineering of Superplasticizers for Metakaolin‐Portland Cement Blends with Hierarchical Machine Learning. Issue 4 (27th December 2018) Authors: Menon, Aditya; Childs, Christopher M.; Poczós, Barnabás; Washburn, Newell R.; Kurtis, Kimberly E. Journal: Advanced theory and simulations Issue: Volume 2:Issue 4(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
965. Molecular Mechanisms of DNA Replication and Repair Machinery: Insights from Microscopic Simulations. Issue 5 (12th February 2019) Authors: Maffeo, Christopher; Chou, Han‐Yi; Aksimentiev, Aleksei Journal: Advanced theory and simulations Issue: Volume 2:Issue 5(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
966. Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations. Issue 9 (30th June 2022) Authors: Sun, Zhaoxi; Wang, Mao; He, Qiaole; Liu, Zhirong Journal: Advanced theory and simulations Issue: Volume 5:Issue 9(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
967. Molecular Simulation for the Next Decade. Issue 4 (10th April 2021) Authors: Site, Luigi Delle Journal: Advanced theory and simulations Issue: Volume 4:Issue 4(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
968. Molecular Simulation Studies of Cyanine‐Based Chromonic Mesogens: Spontaneous Symmetry Breaking to Form Chiral Aggregates and the Formation of a Novel Lamellar Structure. Issue 10 (9th August 2018) Authors: Thind, Romnik; Walker, Martin; Wilson, Mark R. Journal: Advanced theory and simulations Issue: Volume 1:Issue 10(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
969. Molecular Structure Effects on the Aggregation Motif of Porphyrins: Computational Insights. Issue 6 (4th May 2021) Authors: Politi, Antiope T.; Politis, Achilleas; Seton, Linda Journal: Advanced theory and simulations Issue: Volume 4:Issue 6(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
970. MolNet‐3D: Deep Learning of Molecular Representations and Properties from 3D Topography. Issue 6 (16th March 2022) Authors: Liu, Yuanbin; Hong, Weixiang; Cao, Bingyang Journal: Advanced theory and simulations Issue: Volume 5:Issue 6(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗