Solving a superconducting mystery with more precise computations
https://phys.org/news/2022-01-superconducting-mystery-precise.html
https://phys.org/news/2022-01-superconducting-mystery-precise.html
phys.org
Solving a superconducting mystery with more precise computations
Researchers have known about high-temperature superconducting copper-based materials, or cuprates, since the 1980s. Below a certain temperature (approximately -130 degree Celsius), electrical resistance ...
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Computational Methods for Photochemistry.pdf
20.2 MB
Computational Methods for Photochemistry
Forwarded from Lets Learn Bio-IT School 🇫🇷🇮🇳
#nyberman #workshop #bioinfo #gromacs #MD_Simulation
NyBerMan Bioinformatics Europe organizing
🧑💻 Title : Post Molecular Dynamics Simulation analysis in GROMACS
📚 Topics to be covered :
Basics to advanced post MD simulation tools such as stability Analysis, MM-GPSA/MM-PBSA calculations, Distance and Interaction Analysis and Principle Component Analysis (PCA) etc.
🎯Slots & Registration fee :
Total Available seats : 40
🥳 10 Merit Seats (No fee )
🤩 5 Semi Merit Seats ( 5 Euros / 500 INR)
🤑 25 Paid Seats (20 Euros / 2000 INR)
🌐How to apply & Procedure here : https://www.llbschool.org/nyberman/merit-workshops
🧑🏫 Workshop Faculty :
Dr. Shiv bharadwaj
Scientist, Prague, Czech Republic.
☑️ Refer the Benefits in Flyer & instructions in website to Grab your seat.
📢««««««««««
Mandatory to join Telegram Channel LLBIOIT school @llbschool
NyBerMan Bioinformatics Europe organizing
2 days Virtual Workshop, Get Excelled in MD simulation Analysis 👽🧑💻 Title : Post Molecular Dynamics Simulation analysis in GROMACS
📚 Topics to be covered :
Basics to advanced post MD simulation tools such as stability Analysis, MM-GPSA/MM-PBSA calculations, Distance and Interaction Analysis and Principle Component Analysis (PCA) etc.
🎯Slots & Registration fee :
Total Available seats : 40
🥳 10 Merit Seats (No fee )
🤩 5 Semi Merit Seats ( 5 Euros / 500 INR)
🤑 25 Paid Seats (20 Euros / 2000 INR)
🌐How to apply & Procedure here : https://www.llbschool.org/nyberman/merit-workshops
🧑🏫 Workshop Faculty :
Dr. Shiv bharadwaj
Scientist, Prague, Czech Republic.
☑️ Refer the Benefits in Flyer & instructions in website to Grab your seat.
📢««««««««««
Mandatory to join Telegram Channel LLBIOIT school @llbschool
10.1021@acs.chemrev.9b00829.pdf
7.6 MB
Bauer, B., Bravyi, S., Motta, M., & Chan, G. K.-L. (2020). Quantum Algorithms for Quantum Chemistry and Quantum Materials Science. Chemical Reviews, 120(22), 12685–12717. doi:10.1021/acs.chemrev.9b00829
Google AI Blog: Scaling Up Fundamental Quantum Chemistry Simulations on Quantum Hardware
https://ai.googleblog.com/2020/08/scaling-up-fundamental-quantum.html?m=1
https://ai.googleblog.com/2020/08/scaling-up-fundamental-quantum.html?m=1
Google AI Blog
Scaling Up Fundamental Quantum Chemistry Simulations on Quantum Hardware
Posted by Nicholas Rubin and Charles Neill, Research Scientists, Google AI Quantum Accurate computational prediction of chemical processe...
Don't miss the VIII Virtual WinterSchool on Computational Chemistry
To attend the Gaussian workshop you have to register until 18.02.2022... More information how to do that can be found here:
https://winterschool.cc/program-2022?view=article&id=3288&catid=132
To attend the Gaussian workshop you have to register until 18.02.2022... More information how to do that can be found here:
https://winterschool.cc/program-2022?view=article&id=3288&catid=132
Virtual Winter School on Computational Chemistry
Gaussian Workshop
Online congress discussing state of the art computational chemistry
Post Doctoral Researcher in Molecular Modelling (Physics/Chemistry) – Specific Purpose Contract
Posted on Feb 01, 2022
University of Limerick
Luimneach, Ireland
Job denoscription
The University of Limerick (UL) with over 17,000 students and 1,800 staff is an energetic and enterprising institution with a proud record of innovation and excellence in education, research and scholarship. The dynamic, entrepreneurial and pioneering values which drive UL’s mission and strategy ensure that we capitalise on local, national and international engagement and connectivity. We are renowned for providing an outstanding student experience and employability and conducting leading edge research. Our commitment is to make a difference by shaping the future through educating and empowering our undergraduate and postgraduate students. UL is situated on a superb riverside campus of over 130 hectares with the River Shannon as a unifying focal point. Outstanding recreational, cultural and sporting facilities further enhance this exceptional learning and research environment.
Applications are invited for the following position:
Faculty of Science & Engineering
Department of Physics
Post Doctoral Researcher in Molecular Modelling (Physics/Chemistry) – Specific Purpose Contract
Salary Scale: €39,132 – €50,529 p.a. pro rata
Further information for applicants and application material is available online by clicking the blue "go to application page" button.
The closing date for receipt of applications is Friday, 15th April 2022.
Applications must be completed online before 12 noon, Irish Standard Time on the closing date.
Please note your application must include:
A letter of introduction indicating how you meet the criteria outlined in the Job denoscription.
A completed online Application Form (separate application forms must be submitted for each post applied for).
Please email erecruitment@ul.ie if you experience any difficulties
Applications are welcome from suitably qualified candidates.
The University of Limerick holds a Bronze Athena SWAN award in recognition of our commitment to advancing equality in higher education. The University is an equal opportunities employer and is committed to selection on merit welcoming applicants from all sections of the community. The University has a range of initiatives to support a family friendly working environment, including flexible working.
“The University of Limerick has implemented a “Smoke and Vape Free Campus Policy”. Smoking and vaping in all forms is prohibited.”
Areas of Research
Theoretical & Computational Chemistry
Molecular Modeling
Molecular Physics
https://my.corehr.com/pls/ulrecruit/erq_search_package.search_form?p_company=1&p_internal_external=E?/
Posted on Feb 01, 2022
University of Limerick
Luimneach, Ireland
Job denoscription
The University of Limerick (UL) with over 17,000 students and 1,800 staff is an energetic and enterprising institution with a proud record of innovation and excellence in education, research and scholarship. The dynamic, entrepreneurial and pioneering values which drive UL’s mission and strategy ensure that we capitalise on local, national and international engagement and connectivity. We are renowned for providing an outstanding student experience and employability and conducting leading edge research. Our commitment is to make a difference by shaping the future through educating and empowering our undergraduate and postgraduate students. UL is situated on a superb riverside campus of over 130 hectares with the River Shannon as a unifying focal point. Outstanding recreational, cultural and sporting facilities further enhance this exceptional learning and research environment.
Applications are invited for the following position:
Faculty of Science & Engineering
Department of Physics
Post Doctoral Researcher in Molecular Modelling (Physics/Chemistry) – Specific Purpose Contract
Salary Scale: €39,132 – €50,529 p.a. pro rata
Further information for applicants and application material is available online by clicking the blue "go to application page" button.
The closing date for receipt of applications is Friday, 15th April 2022.
Applications must be completed online before 12 noon, Irish Standard Time on the closing date.
Please note your application must include:
A letter of introduction indicating how you meet the criteria outlined in the Job denoscription.
A completed online Application Form (separate application forms must be submitted for each post applied for).
Please email erecruitment@ul.ie if you experience any difficulties
Applications are welcome from suitably qualified candidates.
The University of Limerick holds a Bronze Athena SWAN award in recognition of our commitment to advancing equality in higher education. The University is an equal opportunities employer and is committed to selection on merit welcoming applicants from all sections of the community. The University has a range of initiatives to support a family friendly working environment, including flexible working.
“The University of Limerick has implemented a “Smoke and Vape Free Campus Policy”. Smoking and vaping in all forms is prohibited.”
Areas of Research
Theoretical & Computational Chemistry
Molecular Modeling
Molecular Physics
https://my.corehr.com/pls/ulrecruit/erq_search_package.search_form?p_company=1&p_internal_external=E?/
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Good and free alternatives to Draw 2D molecular structures are hard to find but you can always use ChemDoodle that is very inexpensive and feature rich to get high quality results and analysis. The customer service is the best: https://www.chemdoodle.com/
Chemdoodle
ChemDoodle | Chemical Drawing Software
Chemical drawing and publishing software for Windows, macOS and Linux. Affordable and used by thousands of scientists around the world. Free trial available for immediate download.
New Research on Ring-Shaped Molecules Advances Clean Energy Solutions
https://scitechdaily.com/new-research-on-ring-shaped-molecules-advances-clean-energy-solutions/
https://scitechdaily.com/new-research-on-ring-shaped-molecules-advances-clean-energy-solutions/
SciTechDaily
New Research on Ring-Shaped Molecules Advances Clean Energy Solutions
Ring-shaped molecules known as porphyrins have potential as effective catalyst. Meeting society’s growing energy needs has become a daunting challenge for humanity. Demands for energy are expected to nearly double by the year 2050, while the effects of climate…
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Which density functional gives the best results for excitation energies?
Anonymous Quiz
4%
LDA
12%
GGA
23%
Hybrid GGA
9%
Meta GGA
25%
Hybrid meta GGA
27%
Double hybrid
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Physics Surprise: Protons Are Probably Actually Smaller Than Long Thought
https://scitechdaily.com/physics-surprise-protons-are-probably-actually-smaller-than-long-thought/
https://scitechdaily.com/physics-surprise-protons-are-probably-actually-smaller-than-long-thought/
SciTechDaily
Physics Surprise: Protons Are Probably Actually Smaller Than Long Thought
Study by the University of Bonn and the TU Darmstadt suggests errors in the interpretation of older measurements. A few years ago, a novel measurement technique showed that protons are probably smaller than had been assumed since the 1990s. The discrepancy…
Supercomputer and quantum simulations solve a difficult problem of materials science
https://phys.org/news/2022-02-supercomputer-quantum-simulations-difficult-problem.html
https://phys.org/news/2022-02-supercomputer-quantum-simulations-difficult-problem.html
phys.org
Supercomputer and quantum simulations solve a difficult problem of materials science
Understanding the structural properties of molecules found in nature or synthesized in the laboratory has always been the bread and butter of materials scientists. But, with advancements in science and ...
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Teams collaborate to reach a better understanding of symmetry breaking
https://phys.org/news/2022-02-teams-collaborate-symmetry.html
https://phys.org/news/2022-02-teams-collaborate-symmetry.html
phys.org
Teams collaborate to reach a better understanding of symmetry breaking
In an international collaboration, AMOLF researchers have theoretically described and experimentally observed spontaneous symmetry breaking (SSB) in two laser-driven coupled optical cavities. SSB is a ...
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Molecular_Orbitals_and_Organic_Chemical_Reactions_by_Ian_Fleming.pdf
11.9 MB
Molecular Orbitals and Organic Chemical Reactions