Latest Research in Advanced Chemical Physics Studies

Top Research Topics in Advanced Chemical Physics Studies

• Chemical Physics — 18 papers
• Machine Learning in Materials Science — 9 papers
• Advanced Chemical Physics Studies — 5 papers
• Spectroscopy and Quantum Chemical Studies — 2 papers
• Atomic and Molecular Clusters — 2 papers
• Synthesis and Properties of Aromatic Compounds — 2 papers
• HIV/AIDS drug development and treatment — 1 papers
• Crystallography and molecular interactions — 1 papers
• Gas Dynamics and Kinetic Theory — 1 papers
• Luminescence Properties of Advanced Materials — 1 papers

Highest-Cited Papers

1. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project (5 citations)
2. A Physics-Constrained Synergetic Active- and Transfer-Learning Framework for Constructing a Spectroscopically Accurate Full-Dimensional Potential Energy Surface of H2O–N2 Complex
3. Coupling Quantum Mechanical Modeling and Molecular Dynamics on Heterogeneous Supercomputers for Studying Distal Mutation Effects on Drug Binding in HIV-1
4. Tailored coupled cluster method with sample-based quantum diagonalization: Application to titanium-based metallocene catalytic reactions for 1-hexene production
5. Efficient tensorized evaluation of permutation invariant polynomials for representing potential energy surfaces
6. Importance-Reweighted Fock-Space Variational Monte Carlo
7. Machine-Learned Dynamical Representations for Accelerated RiteWeight Convergence
8. A note on the accuracy of spin-densities from Kohn-Sham Density Functional Theory
9. Information-theoretic appraisal of electron densities
10. Evaluation of the coupled-cluster correction term, δCCSD(T)MP2, calculated using small valence basis sets
11. Resolving electronic evolution during bond dissociation
12. Electron scattering from polar hydrides using relativistic optical potential method
13. Locally Updated Bootstrap Embedding
14. New Approaches to Modeling Methane Flows with Vibrational Relaxation
15. Structural & Thermoluminescence properties of bio−engineered ZnTiO3 nanostructures via Hoodia gordonii ethanolic extract & their dosimetric performances
16. Exchange-Correlation Potentials and Energies from Inverse Generalized Kohn-Sham Calculations
17. Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis
18. Learning Memory and Transferability in Coarse-Grained Dynamics
19. Preparation and structural characteristics of hybrid nanocomposites for optical devices
20. Improving coupled cluster theory for strongly correlated molecules with Kohn-Sham density encoding