Ab initio theory and modeling of water von Chen, Mohan, Ko, Hsin-Yu, Remsing, Richard C., Andrade, Marcos F. Calegari, Santra, Biswajit, Sun, Zhaoru, Selloni, Annabella, Car, Roberto, Klein, Michael L., Perdew, John P., Wu, Xifan

Volltext

Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble von Zheng, Lixin, Chen, Mohan, Sun, Zhaoru, Ko, Hsin-Yu, Santra, Biswajit, Dhuvad, Pratikkumar, Wu, Xifan

Volltext

Role of exact exchange in the structural and electronic properties of the α and γ phases of cerium: a density functional theory study von Liu, Yu, Ren, Xinguo, Geng, Huayun, Chen, Mohan

Volltext

Attention-Based Temporal-Frequency Aggregation for Speaker Verification von Wang, Meng, Feng, Dazheng, Su, Tingting, Chen, Mohan

Volltext

Deep neural network for the dielectric response of insulators von Zhang, Linfeng, Chen, Mohan, Wu, Xifan, Wang, Han, Weinan, E., Car, Roberto

Volltext

Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion von Lin, Lin, Chen, Mohan, Yang, Chao, He, Lixin

Volltext

Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations von Chen, Mohan, Xia, Junchao, Huang, Chen, Dieterich, Johannes M., Hung, Linda, Shin, Ilgyou, Carter, Emily A.

Volltext

Electron-Hole Theory of the Effect of Quantum Nuclei on the X-Ray Absorption Spectra of Liquid Water von Sun, Zhaoru, Zheng, Lixin, Chen, Mohan, Klein, Michael L, Paesani, Francesco, Wu, Xifan

Volltext

Electrical and thermal transport properties of medium-entropy Si Ge Sn alloys von Wang, Duo, Liu, Lei, Chen, Mohan, Zhuang, Houlong

Volltext

Neural Network-Based Autonomous Search Model with Undulatory Locomotion Inspired by Caenorhabditis Elegans von Chen, Mohan, Feng, Dazheng, Su, Hongtao, Wang, Meng, Su, Tingting

Volltext

Editorial: Advances in Density Functional Theory and Beyond for Computational Chemistry von Hu, Wei, Chen, Mohan

Volltext

Neural model generating klinotaxis behavior accompanied by a random walk based on C. elegans connectome von Chen, Mohan, Feng, Dazheng, Su, Hongtao, Su, Tingting, Wang, Meng

Volltext

Carbon Nanodots Memristor: An Emerging Candidate toward Artificial Biosynapse and Human Sensory Perception System von Zhang, Cheng, Chen, Mohan, Pan, Yelong, Li, Yang, Wang, Kuaibing, Yuan, Junwei, Sun, Yanqiu, Zhang, Qichun

Volltext

ZIF-67 Incorporated Sulfonated Poly (Aryl Ether Sulfone) Mixed Matrix Membranes for Pervaporation Separation of Methanol/Methyl Tert-Butyl Ether Mixture von Han, Guanglu, Lv, Jie, Chen, Mohan

Volltext

Systematically improvable optimized atomic basis sets for ab initio calculations von Chen, Mohan, Guo, G-C, He, Lixin

Volltext

Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter von Chen, Tao, Liu, Qianrui, Liu, Yu, Sun, Liang, Chen, Mohan

Volltext

Thermal transport by electrons and ions in warm dense aluminum: A combined density functional theory and deep potential study von Liu, Qianrui, Li, Junyi, Chen, Mohan

Volltext

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional von Xu, Jianhang, Zhang, Chunyi, Zhang, Linfeng, Chen, Mohan, Santra, Biswajit, Wu, Xifan

Volltext

Electronic structure interpolation via atomic orbitals von MOHAN CHEN, GUO, G.-C, LIXIN HE

Volltext

Characterization of the Hydrogen-Bond Network in High-Pressure Water by Deep Potential Molecular Dynamics von Liu, Renxi, Chen, Mohan

Volltext