Sergey V. Levchenko
- Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
2014/09/03 by Yihan Shao, Zhengting Gan, Evgeny Epifanovsky +97 · 4 citations
Physics and Astronomy · Chemical Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Catalysis and Oxidation Reactions
- Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
2012/10/20 by Noa Marom, Marom, Noa, Robert A. DiStasio +13 · 3 citations
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Molecular spectroscopy and chirality #Nonlinear Optical Materials Research #Spectroscopy and Quantum Chemical Studies #cond-mat.mtrl-sci
- Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO (100)
2013/05/22 by Norina A. Richter, Sabrina Sicolo, Richter, Norina A. +7 · 1 citation
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
- Shared Metadata for Data-Centric Materials Science
2022/05/29 by Luca M. Ghiringhelli, Carsten Baldauf, Ghiringhelli, Luca M. +67 · 1 citation
Computer Science · Decision Sciences · #Data Quality and Management #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Research Data Management Practices #Scientific Computing and Data Management
- Combining genetic algorithm and compressed sensing for features and operators selection in symbolic regression
2024/03/23 by Aliaksei Mazheika, Mazheika, Aliaksei, Sergey V. Levchenko +3 · 1 citation
Computer Science · #Evolutionary Algorithms and Applications #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Metaheuristic Optimization Algorithms Research #Neural Networks and Applications
- Quantum Modelling of Magnetism in Strongly Correlated Materials: Evaluating Constrained DFT and the Hubbard Model for Y114
2024/04/30 by Christian Tantardini, Tantardini, Christian, Darina Fazylbekova +5 · 1 citation
Engineering · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism #Strongly Correlated Electrons (cond-mat.str-el) #Superconducting Materials and Applications