Media is too big
VIEW IN TELEGRAM
0604 - Solvation Models Continuum (Implicit) Solvent
Media is too big
VIEW IN TELEGRAM
0605 - Solvation Models Continuum (Implicit) Solvent
Media is too big
VIEW IN TELEGRAM
0606 - Solvation Models Phase-Phase Partitioning
Media is too big
VIEW IN TELEGRAM
0607 - Solvation Models Hybrid Explicit/Implicit Solvent
Wave-particle duality in action—big molecules surf on their own waves | Ars Technica
https://arstechnica.com/science/2020/07/wave-particle-duality-in-action-big-molecules-surf-on-their-own-waves/
https://arstechnica.com/science/2020/07/wave-particle-duality-in-action-big-molecules-surf-on-their-own-waves/
Ars Technica
Wave-particle duality in action—big molecules surf on their own waves
Heavy molecules reveal wave-like properties after scattering from light beam.
Free Webinar - MolScreen ADME Prediction Panels
MolScreen - Combining Deep Learning with Docking. Thousands of preclinical activity assays for drug candidates in silico.
https://register.gotowebinar.com/register/2829076811429870606
MolScreen - Combining Deep Learning with Docking. Thousands of preclinical activity assays for drug candidates in silico.
https://register.gotowebinar.com/register/2829076811429870606
Scientists Extend Quantum States by 22 Milliseconds. That's an Eternity.
https://news.yahoo.com/scientists-extend-quantum-states-22-210900147.html
https://news.yahoo.com/scientists-extend-quantum-states-22-210900147.html
Yahoo
Scientists Extend Quantum States by 22 Milliseconds. That's an Eternity.
Do you know what a computer can do in that time?
GCC 2020 (November 2-3) and the SAMPL Workshop (November 4) will now take
place virtually.
https://veranstaltungen.gdch.de/tms/frontend/index.cfm?l=10731&sp_id=2
The language for the meeting is English.
As announced earlier, the current situation forced us to resort to a purely virtual format for both GCC and the SAMPL workshop (originally termed "EuroSAMPL" as it was planned to be hosted as in-person meeting in Germany), which nevertheless provides an attractive platform for presenting and discussing exciting new research.
The GCC reflects and highlights the important role of cheminformatics, which connects the modern information and data-driven world with computational modelling of molecular systems. It spans a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from informatics and data science to atomistic modelling, and from fundamental academic research to industrial applications.
The scientific programme will include software workshops, contributed lectures (25+5 min), research telegrams (12+3 min), and - in parallel sessions - very brief "flash talks" (3+2 min to be held twice, open to everyone) instead of a poster session. Young academics (Ph.D. students only) are encouraged to select the format of research telegrams as an opportunity to present the highlights of their research to a wider audience. Ph.D. student submissions as full talks will compete against all contributions in this category and cannot be changed to the research telegram format if declined.
The conference contains slots for software workshops. Our sponsors will introduce the latest software developments to the participants. If you are interested in providing workshops or sponsoring please contact Dr. Stefan Güssregen at gcc-exhibition@chemoinformatics.info.
The SAMPL satellite workshop will encompass invited lectures and contributions from participants during the recent SAMPL blinded challenge on predicting protein-ligand and guest-host features as well as, depending on upcoming challenge deadlines, small molecule properties. This will give participants the opportunity to present and learn about state-of-the-art computational methodology benchmarked against high-quality experimental data. SAMPL lectures will take place from 1 p.m. to 9 p.m. (CET) to ease participation of North and South American residents.
place virtually.
https://veranstaltungen.gdch.de/tms/frontend/index.cfm?l=10731&sp_id=2
The language for the meeting is English.
As announced earlier, the current situation forced us to resort to a purely virtual format for both GCC and the SAMPL workshop (originally termed "EuroSAMPL" as it was planned to be hosted as in-person meeting in Germany), which nevertheless provides an attractive platform for presenting and discussing exciting new research.
The GCC reflects and highlights the important role of cheminformatics, which connects the modern information and data-driven world with computational modelling of molecular systems. It spans a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from informatics and data science to atomistic modelling, and from fundamental academic research to industrial applications.
The scientific programme will include software workshops, contributed lectures (25+5 min), research telegrams (12+3 min), and - in parallel sessions - very brief "flash talks" (3+2 min to be held twice, open to everyone) instead of a poster session. Young academics (Ph.D. students only) are encouraged to select the format of research telegrams as an opportunity to present the highlights of their research to a wider audience. Ph.D. student submissions as full talks will compete against all contributions in this category and cannot be changed to the research telegram format if declined.
The conference contains slots for software workshops. Our sponsors will introduce the latest software developments to the participants. If you are interested in providing workshops or sponsoring please contact Dr. Stefan Güssregen at gcc-exhibition@chemoinformatics.info.
The SAMPL satellite workshop will encompass invited lectures and contributions from participants during the recent SAMPL blinded challenge on predicting protein-ligand and guest-host features as well as, depending on upcoming challenge deadlines, small molecule properties. This will give participants the opportunity to present and learn about state-of-the-art computational methodology benchmarked against high-quality experimental data. SAMPL lectures will take place from 1 p.m. to 9 p.m. (CET) to ease participation of North and South American residents.
veranstaltungen.gdch.de
GCC 2020 and SAMPL Satellite Workshop - Virtual Edition
U2D steht für digitale Premiumlösungen nach Maß. Wir bieten die flexibelsten Softwarelösungen für das Eventmanagement sowie für das Lernmanagement.
Media is too big
VIEW IN TELEGRAM
0701 - Quantum MechanicalMolecular Mechanical (QMMM)
Media is too big
VIEW IN TELEGRAM
0702 - Quantum MechanicalMolecular Mechanical (QMMM)
Media is too big
VIEW IN TELEGRAM
0703 - Quantum MechanicalMolecular Mechanical (QMMM)
Google performed the first quantum simulation of a chemical reaction | New Scientist
https://www.newscientist.com/article/2253089-google-performed-the-first-quantum-simulation-of-a-chemical-reaction/
https://www.newscientist.com/article/2253089-google-performed-the-first-quantum-simulation-of-a-chemical-reaction/
New Scientist
Google performed the first quantum simulation of a chemical reaction
For the first time, Google has used its quantum computer Sycamore to simulate a chemical reaction, paving the way for quantum chemistry algorithms
Opinion | Even Physicists Don’t Understand Quantum Mechanics - The New York Times
https://www.nytimes.com/2019/09/07/opinion/sunday/quantum-physics.html
https://www.nytimes.com/2019/09/07/opinion/sunday/quantum-physics.html
NY Times
Opinion | Even Physicists Don’t Understand Quantum Mechanics (Published 2019)
Worse, they don’t seem to want to understand it.
A step toward a better understanding of molecular dynamics
https://phys.org/news/2020-09-molecular-dynamics.amp
https://phys.org/news/2020-09-molecular-dynamics.amp
phys.org
A step toward a better understanding of molecular dynamics
EPFL researchers, working at the boundary between classical and quantum physics, have developed a method for quickly spotting molecules with particularly interesting electron properties.
Caged actinides form unusual bonds in simulations
https://cen.acs.org/physical-chemistry/computational-chemistry/Caged-actinides-form-unusual-bonds/98/i34
https://cen.acs.org/physical-chemistry/computational-chemistry/Caged-actinides-form-unusual-bonds/98/i34
Hydrogen bonds join forces to maximise water–water interaction | Research | Chemistry World
https://www.chemistryworld.com/news/hydrogen-bonds-join-forces-to-maximise-water-water-interaction/4012391.article#/
https://www.chemistryworld.com/news/hydrogen-bonds-join-forces-to-maximise-water-water-interaction/4012391.article#/
Chemistry World
Hydrogen bonds join forces to maximise water–water interaction
Cooperative environment encourages stronger chemistry
Hartree-Fock on a superconducting qubit quantum computer | Science
https://science.sciencemag.org/content/369/6507/1084
https://science.sciencemag.org/content/369/6507/1084
Science
Hartree-Fock on a superconducting qubit quantum computer
Accurate electronic structure calculations are considered one of the most anticipated applications of quantum computing that will revolutionize theoretical chemistry and other related fields. Using the Google Sycamore quantum processor, Google AI Quantum…