The hottest clean energy project vigorously develo

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The clean energy project vigorously develops low-cost solar energy technology. The task of the "clean energy project" is to find new materials that can be used for the next generation of solar cells and future energy storage equipment. With the powerful computing power of worldcommunitygrid, researchers can calculate the electronic properties of hundreds of thousands of organic materials (thousands of times the number of materials that can be tested in the laboratory) and identify the most promising materials for the development of low-cost solar technology

we live in the "energy age". The current economy based on fossil fuels must make way for the future economy based on renewable energy, but achieving this goal is one of the greatest challenges facing mankind. Chemistry meets this challenge by finding new materials that can fully absorb solar radiation, store solar energy for future use, and convert stored solar energy into other energy when needed

"clean energy project" uses computational chemistry to help find molecules that are most suitable for providing organic photovoltaic materials for low-cost solar cells and polymer membranes used in fuel cell power generation, and determine how to best combine these molecules to make these devices. Worldcommunitygrid volunteers have contributed to this goal by helping to combine and search thousands of possible systems

researchers used molecular mechanics and electronic structure calculations to predict the optical and transmission properties of molecules that may become the next generation of solar cell materials

a) molecular mechanics calculation in phase 1: in phase 1 of the project, the calculation mainly focuses on understanding how the assumed candidate molecular block forms a solid (crystal, membrane, polymer...), And predict whether the entity has appropriate electronic properties that can be used for solar cells. These calculations were performed in phase 1 of the project by the CHARMM molecular mechanics software package developed by the Karplus group of Harvard University. For more information, see clean energy project - phase 1

b) in stage 2, electronic structure calculation shall be performed: in order to obtain more accurate optical, electronic and other physical properties of candidate solar materials, quantum mechanical calculation shall be performed for each candidate material. Among them, US $3.62 million will be exported to the EU. These calculations will be performed through the q-chem quantum chemistry software developed by q-chem, Inc. This work will produce a useful database containing information about the properties of a large number of compounds. This phase will also directly help the experimental team design improved solar cells

worldcommunitygrid and researchers from the Department of chemistry and chemical biology of Harvard University are cooperating to develop efficient and low-cost solar cells using organic molecular materials, so as to meet the future global energy demand through renewable energy

if the current cost of solar cells can be reduced to 1/5 to 1/10 of the original, many countries or regions may use solar cells to supply 20% of the electricity. It is reasonable to expect that with the development of the industry and the realization of economies of scale, the cost of manufacturing silicon solar cells will drop to 1/2 to 1/3 of the original, but this is far from enough to realize the revolutionary application of solar cells

in view of the increasing demand for cheaper solar cells, research in the field of carbon or organic solar cells has opened the door to the possibility of low-cost materials and low-cost manufacturing processes using high-throughput reel coaters (similar to newspaper printers). These materials mainly composed of carbon atoms may have both the electronic properties of traditional semiconductors and the excellent mechanical and processing properties of plastic materials

at present, the energy conversion rate of organic solar cells is about 5%, and the service life under continuous lighting is more than 1000 hours, which is close to the value required to enter the commercial solar cell market in a specific environment

some actual solar cell products on the market include: charging the portable battery of the notebook "to charge the only fateful device, emergency generator and outdoor equipment, such as tents and backpacks. Nevertheless, to achieve greater market share, especially to meet the global energy demand in 2050 (see clean energy project - phase 1) , the service life and efficiency of these photovoltaic products must be greatly improved. For example, if these materials are to be used as the world's main energy in the future, it is completely reasonable to have a conversion efficiency of 15% and a service life of no less than 10000 hours

kvasoftcities project conducts organic photovoltaic roof canopy test. MITEI and the Portuguese government provide support for this

worldcommunitygrid and clean energy project

grid computing is based on the idea that global computing power is no longer concentrated in supercomputer centers, but distributed on hundreds of millions of personal computers around the world. Therefore, lattice computing is a method to open up new computing resources for the scientific field. With the purpose of scientific cooperation, scientists from the Department of chemistry and chemical biology of Harvard University have cooperated with IBM's worldcommunitygrid and its huge volunteer members to use its distributed computing infrastructure. The importance of this partnership depends on our ability to deploy the enormous computing power of worldcommunitygrid to the following areas: 1) design thousands of traditional/non-traditional materials (molecular level) suitable for organic solar cell applications; 2) Create a database of molecular structures and their photovoltaic properties (obtained by quantum chemical methods)

in the first phase of the project, CHARMM software is used to predict how candidate molecular blocks are combined into an entity, and to understand whether the attributes of the entity are suitable as candidate materials for solar cells. Phase 2 of the project uses quantum mechanical calculations to more accurately predict whether these candidate entities have the electronic and physical properties required for manufacturing solar cells. These electronic structure calculations will be carried out through the q-chem quantum chemistry software developed by q-chem, Inc. for the plastic modified asphalt waterproof coiled material GB 18243 ⑵ 000

we hope that the project can achieve the expected capabilities and provide insight for the experimenters so that they can design new compounds that meet the high standards of practical equipment (materials with stable chemical properties in the air, and light absorption characteristics compatible with the solar spectrum). The team will rely on their machinability and high charge carrying transmission characteristics)

finally, with the support of worldcommunitygrid, scientists at Harvard University hope to invent a new material to produce high-efficiency and low-cost solar cells, so as to provide a practical solution for the future energy needs of mankind

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