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Publication search results
found 572 matches
- 2024
- Dianwu Zhou:
Improved mechanical properties of steel/aluminium laser welding joint by Ti powder addition: experimental and first-principles investigations. Int. J. Manuf. Res. 19(1): 20-35 (2024) - Jagdish Kumar Satyam, Sapan Mohan Saini:
Comprehensive investigation of electronic structure, phonon spectrum and thermoelectric performance of LuMSb (M = Ni, Pd, Pt) half Heusler compounds from first principles. J. Comput. Chem. 45(1): 25-34 (2024) - Andrew S. Lee, Sarah Elliott, Hassan Harb, Logan T. Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary:
Emin: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. J. Chem. Inf. Model. 64(4): 1277-1289 (2024) - Teng Song, Bin Liu:
First- and Second-Order Maximum Principles for Discrete-Time Stochastic Optimal Control With Recursive Utilities. IEEE Trans. Autom. Control. 69(1): 43-54 (2024) - Denis Shchepakin, Sreecharan Sankaranarayanan, Dawn Zimmaro:
Parametric Constraints for Bayesian Knowledge Tracing from First Principles. CoRR abs/2401.09456 (2024) - Lehang Li, Haokuan Wu, Botao Yao, Tianyu He, Shuohan Huang, Chuanyi Liu:
First-principles Based 3D Virtual Simulation Testing for Discovering SOTIF Corner Cases of Autonomous Driving. CoRR abs/2401.11876 (2024) - Harry Langford, Ilia Shumailov, Yiren Zhao, Robert D. Mullins, Nicolas Papernot:
Architectural Neural Backdoors from First Principles. CoRR abs/2402.06957 (2024) - Yasuko Kawahata:
Introducing First-Principles Calculations: New Approach to Group Dynamics and Bridging Social Phenomena in TeNP-Chain Based Social Dynamics Simulations. CoRR abs/2403.05593 (2024) - David Binder, Ingo Skupin, Tim Süberkrüb, Klaus Ostermann:
Deriving Dependently-Typed OOP from First Principles - Extended Version with Additional Appendices. CoRR abs/2403.06707 (2024) - 2023
- Kristy A. Hecht, David Gonzalez-Ovejero, Dimitrios L. Sounas, Mario Junior Mencagli:
First-Principles Analysis of Energy Exchange in Time-Varying Capacitors for Energy Trapping Applications. IEEE Access 11: 71494-71502 (2023) - Ankit Kumar Kushwaha, B. Anil Kumar:
Rule Based First Principles Approach to Identify Safe/Unsafe Behavior of Two-Wheeler Drivers Under Mixed Traffic Conditions. IEEE Access 11: 31541-31548 (2023) - Xinming Qin, Junshi Chen, Zhaolong Luo, Lingyun Wan, Jielan Li, Shizhe Jiao, Zhenlin Zhang, Qingcai Jiang, Wei Hu, Hong An, Jinlong Yang:
High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers. CCF Trans. High Perform. Comput. 5(1): 26-42 (2023) - Allé Dioum, Yacouba I. Diakité, Yuiry Malozovsky, Blaise Awola Ayirizia, Aboubaker Chedikh Beye, Diola Bagayoko:
First-Principles Investigation of Electronic and Related Properties of Cubic Magnesium Silicide (Mg2Si). Comput. 11(2): 40 (2023) - Masayuki Ochi:
TC++: First-principles calculation code for solids using the transcorrelated method. Comput. Phys. Commun. 287: 108687 (2023) - Masayuki Ochi:
Corrigendum to "TC++: First-principles calculation code for solids using the transcorrelated method" [Comput. Phys. Commun. 287 (2023) 108687]. Comput. Phys. Commun. 290: 108781 (2023) - Abhiyan Pandit, Angelo Bongiorno:
A first-principles method to calculate fourth-order elastic constants of solid materials. Comput. Phys. Commun. 288: 108751 (2023) - Jennifer Anders, Henrik Wiedenhaupt, Florian Kreuter, Ralf Tonner-Zech, Beate Paulus:
Chemical bonding of HF, HCl, and H 2 O onto YF 3 surfaces: Quantification by first principles. J. Comput. Chem. 44(25): 1986-1997 (2023) - Shizhi Dong, Yanshuai Li, Hongyu Hu, Ruichuan Li, Bing Yan, Xing Zhang, Zeliang Wang, Jinyu Zhang, Lin Guo:
Effect of ZrS2 load single/dual-atom catalysts on the hydrogen evolution reaction: A first-principles study. J. Comput. Chem. 44(1): 15-26 (2023) - Yenamareddy Bhargav Kumar, Anwesh Pandey, Nandan Kumar, G. Narahari Sastry:
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. J. Comput. Chem. 44(3): 432-441 (2023) - Christophe Chipot:
Predictions from First-Principles of Membrane Permeability to Small Molecules: How Useful Are They in Practice? J. Chem. Inf. Model. 63(15): 4533-4544 (2023) - Raheel Anjum, Ahmed Yar, Ghulam Murtaza, Qadeer Ahmed, Aamer I. Bhatti:
Framework for fault-tolerant speed tracking control of gasoline engines using the first principle-based engine model. J. Control. Decis. 10(4): 560-571 (2023) - Zhijie Wang, Chengzhu Wang, Chunhua Yang:
Cloud-edge collaborative control for roaster furnace: A hybrid first-principles and data-driven method. J. Ind. Inf. Integr. 36: 100531 (2023) - Mathieu Barré, Adrien B. Taylor, Francis R. Bach:
Principled analyses and design of first-order methods with inexact proximal operators. Math. Program. 201(1): 185-230 (2023) - Jules Jacobs, Jonas Kastberg Hinrichsen, Robbert Krebbers:
Dependent Session Protocols in Separation Logic from First Principles (Functional Pearl). Proc. ACM Program. Lang. 7(ICFP): 768-795 (2023) - Riccardo Bonalli, Benoît Bonnet:
First-Order Pontryagin Maximum Principle for Risk-Averse Stochastic Optimal Control Problems. SIAM J. Control. Optim. 61(3): 1881-1909 (2023) - Dhananjay Gopal, Wutiphol Sintunavarat, Abhay S. Ranadive, Satish Shukla:
The investigation of k-fuzzy metric spaces with the first contraction principle in such spaces. Soft Comput. 27(16): 11081-11089 (2023) - Peter Krüger:
First-Principles Calculation of Ligand Field Parameters for L-Edge Spectra of Transition Metal Sites of Arbitrary Symmetry. Symmetry 15(2): 472 (2023) - Gengzhu Zhou, Zili Zhang, Renyao Feng, Wenjie Zhao, Shenyou Peng, Jia Li, Feifei Fan, Qihong Fang:
Chemical Composition Optimization of Biocompatible Non-Equiatomic High-Entropy Alloys Using Machine Learning and First-Principles Calculations. Symmetry 15(11): 2029 (2023) - Yurii N. Zhuravlev, Victor V. Atuchin:
Investigation of the Optical Spectra of Barium-Zinc (Aluminum) Fluoroborates and Barium-Zinc Fluorocarbonate from First Principles. Symmetry 15(8): 1504 (2023) - Nicolas Roisin, Jean-Pierre Raskin, Denis Flandre:
Near-IR response of highly-strained Si photodetector linking first principles and TCAD. ESSDERC 2023: 132-135
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