January 01, 2013 article Computing vibrational spectra from ab initio molecular dynamics Physical Chemistry Chemical Physics DOI: 10.1039/c3cp44302g OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 614 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Improved ab initio molecular dynamics–based vibrational spectroscopy for indirect hard modeling for bulk-phase vibrational spectroscopy using vibrational scaling and sampling diagnostics 2026 The Journal of Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies 1 citations Simulation of Raman-Spectra of water using machine learning potentials 2025 Chemical Physics article Materials Science Machine Learning in Materials Science Open access 1 citations Tuning the Permeation Properties of Poly(1‐trimethylsilyl‐1‐propyne) by Vapor Phase Infiltration Using Trimethylaluminum 2024 Advanced Materials Interfaces article Engineering Membrane Separation and Gas Transport Open access 3 citations Completely Computational Model Setup for Spectroscopic Techniques: The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach 2022 The Journal of Physical Chemistry A article Chemistry Spectroscopy and Chemometric Analyses 8 citations Completely computational model setup for spectroscopic techniques: the ab initio molecular dynamics indirect hard modeling (AIMD-IHM) approach 2022 ChemRxiv preprint Chemistry Spectroscopy and Chemometric Analyses Open access 0 citations 5 results References 0