compchem.hu
Homepage - Molecular Quantum Dynamics Research Group at ELTE Budapest
Molecular Quantum Dynamics Research Group. On the emergence of molecular structure. Tunneling splittings from symmetrized PIMD. Numerically-constructed kinetic energy operators. Rovibrational transitions of the methane-water dimer. We seek talented candidates who are interested in joining the group at the doctoral level! We also offer a range of Bachelor and Master projects! Quantum Dynamics Meetings in Budapest (2018). Our group participates at the AMOC. Pázmány Péter sétány 1/A. 1117 Budapest, Hungary.
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compchem.us at Directnic
compchemcons.com
Computer Chemistry Consultancy
Computer Chemistry Consultancy, Katzelbachweg 18, A-8052 Thal, Austria, info@CompChemCons.com. Your partner in Chemical, Pharmaceutical and Biotech R&D-Computing. Ricin, a highly toxic protein. Computer Chemistry Consultancy provides services. To the chemical, pharmaceutical and biotech industry. Computer Chemistry Consultancy is specialized in the following areas:. Development of tailored scientific software. For use in chemical, biotech, bioinformatics and chemical R&D. Development of macros and scripts.
compchemhighlights.org
Computational Chemistry Highlights
Important recent papers in computational and theoretical chemistry. A free resource for scientists run by scientists. Wednesday, March 14, 2018. DeePCG: A Deep Neutral Network Molecular Force Field. DeePCG: constructing coarse-grained models via deep neural networks. L Zhang, J Han, H Wang, R Car, Weinan E. arXiv:1802.08549v2. Contributed by Jesper Madsen. And Zhang et al.[3] take advantage of similar ideas. Zhang et al. simulate liquid water using ab initio. FF transferability, however, is likely where ...
compchemkitchen.org
Comp Chem Kitchen | Computational Chemistry in Oxford
Computational Chemistry in Oxford. Tools & Resources. November 19, 2016. Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on. Th, 2017, at 5.00 pm. In the Abbot’s Kitchen in the Inorganic Chemistry Laboratory. Our main speaker will be: Dr Russell Viner from Syngenta, UK. Structure-Based Design of a Novel Class of Herbicidal HPPD Inhibitors. You can register here. Refreshments will be provided. We will also have a lightning talk:. Anthony Bradley (Chemistry / DLS).
compchemmpi.wikispaces.com
CompChemMPI - home
Skip to main content. Colloid and interface science. Consistent Terminology for Solvation. Documents, Articles etc. High Performance Computing (HPC) info. How to hand in PhD thesis in Duisburg-Essen. How To Write Good. Manipulating Gromacs tools and core code. Manual on Computational Physical Chemistry of Ionic liquids at Interfaces. Program installation and setup. QM Theory and Software. Useful Articles on Improving Productivity. Welcome to CompChemMPI Wiki! Google custom search on the Wiki:.
compchemres.co.uk
CompChem Resource, Computational Chemistry Resource
Molecular Design Consultancy for Drug Discovery. 25 years of Computational Chemistry Experience. Med Chem Project Support. Shape, Pharmacophore and Property Profiling. Selection of Commercial Screening Sets. Visualisation and overlay of 3D Structures. Design of Synthetic libraries. News: 19th July 2017. Pulmocide Respiratory Syncytial Virus (RSV) Project. Bioorg Med Chem Letts, Vol 27 (10), 15 May 2017, p2201-2206. News: 4th July 2017. Teams up with Computational Chemistry Partner, CCR. Commenting on the...
compchemsol.co.uk
CompChem Solutions
Start-ups & spin outs. Subscribe to our Newsletter. Based in Cambridge, UK, CompChem Solutions offers computational chemistry and computational biology services to academic and industrial researchers involved in drug discovery and development. CompChem Solutions gives access to computational resource, without the need to invest in a full comp chem FTE! Established in 2004, we have worked with numerous clients in the UK, Europe, Japan and USA. We are always happy to provide references from existing cl...
