The Born–Oppenheimer approximation, which assumes that the electrons respond instantaneously to the motion of the nuclei, breaks down for a wide range of chemical and biological processes. The rate constants of such nonadiabatic processes can be calculated using analytical theories, and the real-time nonequilibrium dynamics can be described using numerical atomistic simulations. The selection of an approach depends on the desired balance between accuracy and efficiency. The computational expense of generating potential energy surfaces on-the-fly often favours the use of approximate, robust and efficient methods such as trajectory surface hopping for large, complex systems. The development of formally exact non-Born–Oppenheimer methods and the exploration of well-defined approximations to such methods are critical for providing benchmarks and preparing for the next generation of faster computers. Thus, the parallel development of rigorous but computationally expensive methods and more approximate but computationally efficient methods is optimal. This Perspective briefly summarizes the available theoretical and computational non-Born–Oppenheimer methods and presents examples illustrating how analytical theories and nonadiabatic dynamics simulations can elucidate the fundamental principles of chemical and biological processes. These examples also highlight how theoretical calculations are able to guide the interpretation of experimental data and provide experimentally testable predictions for nonadiabatic processes. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.
{"title":"Theoretical perspectives on non-Born–Oppenheimer effects in chemistry","authors":"S. Hammes‐Schiffer","doi":"10.1098/rsta.2020.0377","DOIUrl":"https://doi.org/10.1098/rsta.2020.0377","url":null,"abstract":"The Born–Oppenheimer approximation, which assumes that the electrons respond instantaneously to the motion of the nuclei, breaks down for a wide range of chemical and biological processes. The rate constants of such nonadiabatic processes can be calculated using analytical theories, and the real-time nonequilibrium dynamics can be described using numerical atomistic simulations. The selection of an approach depends on the desired balance between accuracy and efficiency. The computational expense of generating potential energy surfaces on-the-fly often favours the use of approximate, robust and efficient methods such as trajectory surface hopping for large, complex systems. The development of formally exact non-Born–Oppenheimer methods and the exploration of well-defined approximations to such methods are critical for providing benchmarks and preparing for the next generation of faster computers. Thus, the parallel development of rigorous but computationally expensive methods and more approximate but computationally efficient methods is optimal. This Perspective briefly summarizes the available theoretical and computational non-Born–Oppenheimer methods and presents examples illustrating how analytical theories and nonadiabatic dynamics simulations can elucidate the fundamental principles of chemical and biological processes. These examples also highlight how theoretical calculations are able to guide the interpretation of experimental data and provide experimentally testable predictions for nonadiabatic processes. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86522516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We study the coupled electronic–nuclear dynamics in a model system to compare numerically exact calculations of electronic and nuclear flux densities with those obtained from the Born–Oppenheimer (BO) approximation. Within the adiabatic expansion of the total wave function, we identify the terms which contribute to the flux densities. It is found that only off-diagonal elements that involve the interaction between different electronic states contribute to the electronic flux whereas in the nuclear case the major contribution belongs to the BO electronic state. New flux densities are introduced where in both, the electronic and the nuclear case, the main contribution is contained in the component corresponding to the BO state. As a consequence, they can be determined within the BO approximation, and an excellent agreement with the exact results is found. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.
{"title":"Quantum flux densities for electronic–nuclear motion: exact versus Born–Oppenheimer dynamics","authors":"T. Schaupp, V. Engel","doi":"10.1098/rsta.2020.0385","DOIUrl":"https://doi.org/10.1098/rsta.2020.0385","url":null,"abstract":"We study the coupled electronic–nuclear dynamics in a model system to compare numerically exact calculations of electronic and nuclear flux densities with those obtained from the Born–Oppenheimer (BO) approximation. Within the adiabatic expansion of the total wave function, we identify the terms which contribute to the flux densities. It is found that only off-diagonal elements that involve the interaction between different electronic states contribute to the electronic flux whereas in the nuclear case the major contribution belongs to the BO electronic state. New flux densities are introduced where in both, the electronic and the nuclear case, the main contribution is contained in the component corresponding to the BO state. As a consequence, they can be determined within the BO approximation, and an excellent agreement with the exact results is found. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80108346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
J. Coonjobeeharry, K. E. Spinlove, C. Sanz Sanz, M. Sapunar, N. Došlić, G. Worth
Three methods for non-adiabatic dynamics are compared to highlight their capabilities. Multi-configurational time-dependent Hartree is a full grid-based solution to the time-dependent Schrödinger equation, variational multi-configurational Gaussian (vMCG) uses a less flexible but unrestricted Gaussian wavepacket basis, and trajectory surface hopping (TSH) replaces the nuclear wavepacket with a swarm of classical trajectories. Calculations with all methods using a model Hamiltonian were performed. The vMCG and TSH were also then run in a direct dynamics mode, with the potential energy surfaces calculated on-the-fly using quantum chemistry calculations. All dynamics calculations used the Quantics package, with the TSH calculations using a new interface to a surface hopping code. A novel approach to calculate adiabatic populations from grid-based quantum dynamics using a time-dependent discrete variable representation is presented, allowing a proper comparison of methods. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.
{"title":"Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods","authors":"J. Coonjobeeharry, K. E. Spinlove, C. Sanz Sanz, M. Sapunar, N. Došlić, G. Worth","doi":"10.1098/rsta.2020.0386","DOIUrl":"https://doi.org/10.1098/rsta.2020.0386","url":null,"abstract":"Three methods for non-adiabatic dynamics are compared to highlight their capabilities. Multi-configurational time-dependent Hartree is a full grid-based solution to the time-dependent Schrödinger equation, variational multi-configurational Gaussian (vMCG) uses a less flexible but unrestricted Gaussian wavepacket basis, and trajectory surface hopping (TSH) replaces the nuclear wavepacket with a swarm of classical trajectories. Calculations with all methods using a model Hamiltonian were performed. The vMCG and TSH were also then run in a direct dynamics mode, with the potential energy surfaces calculated on-the-fly using quantum chemistry calculations. All dynamics calculations used the Quantics package, with the TSH calculations using a new interface to a surface hopping code. A novel approach to calculate adiabatic populations from grid-based quantum dynamics using a time-dependent discrete variable representation is presented, allowing a proper comparison of methods. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82038434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Emanuele Marsili, F. Agostini, André Nauts, D. Lauvergnat
In order to simplify the numerical solution of the time-dependent or time-independent Schrödinger equations associated with atomic and molecular motions, the use of well-adapted coordinates is essential. Usually, this set of curvilinear coordinates leads to a Hamiltonian operator that is as separable as possible. Although their corresponding kinetic energy operator (KEO) expressions can be derived analytically for small systems or special kinds of coordinates, a numerical and exact approach allows one to compute them in terms of sophisticated curvilinear coordinates. Furthermore, the numerical approach enables one to easily define reduced-dimensionality or constrained models. We present here a recent implementation of this numerical approach that allows nested coordinate transformations, therefore leading to great flexibility in the definition of the curvilinear coordinates. Furthermore, this implementation has no limitations in terms of numbers of atoms or coordinate transformations. The quantum dynamics of the cis–trans photoisomerization of part of the retinal chromophore illustrates the construction of the coordinates and KEO part of a three-dimensional model. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.
{"title":"Quantum dynamics with curvilinear coordinates: models and kinetic energy operator","authors":"Emanuele Marsili, F. Agostini, André Nauts, D. Lauvergnat","doi":"10.1098/rsta.2020.0388","DOIUrl":"https://doi.org/10.1098/rsta.2020.0388","url":null,"abstract":"In order to simplify the numerical solution of the time-dependent or time-independent Schrödinger equations associated with atomic and molecular motions, the use of well-adapted coordinates is essential. Usually, this set of curvilinear coordinates leads to a Hamiltonian operator that is as separable as possible. Although their corresponding kinetic energy operator (KEO) expressions can be derived analytically for small systems or special kinds of coordinates, a numerical and exact approach allows one to compute them in terms of sophisticated curvilinear coordinates. Furthermore, the numerical approach enables one to easily define reduced-dimensionality or constrained models. We present here a recent implementation of this numerical approach that allows nested coordinate transformations, therefore leading to great flexibility in the definition of the curvilinear coordinates. Furthermore, this implementation has no limitations in terms of numbers of atoms or coordinate transformations. The quantum dynamics of the cis–trans photoisomerization of part of the retinal chromophore illustrates the construction of the coordinates and KEO part of a three-dimensional model. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83587728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Non-adiabatic couplings between Born–Oppenheimer (BO)-derived potential energy surfaces are now recognized as pivotal in describing the non-radiative decay of electronically excited molecules following photon absorption. This opinion piece illustrates how non-BO effects provide photostability to many biomolecules when exposed to ultraviolet radiation, yet in many other cases are key to facilitating ‘reactive’ outcomes like isomerization and bond fission. The examples are presented in order of decreasing molecular complexity, spanning studies of organic sunscreen molecules in solution, through two families of heteroatom containing aromatic molecules and culminating with studies of isolated gas phase H2O molecules that afford some of the most detailed insights yet available into the cascade of non-adiabatic couplings that enable the evolution from photoexcited molecule to eventual products. This article is part of the theme issue 'Chemistry without the Born–Oppenheimer approximation'.
{"title":"Non-Born–Oppenheimer effects in molecular photochemistry: an experimental perspective","authors":"M. Ashfold, Sang Kyu Kim","doi":"10.1098/rsta.2020.0376","DOIUrl":"https://doi.org/10.1098/rsta.2020.0376","url":null,"abstract":"Non-adiabatic couplings between Born–Oppenheimer (BO)-derived potential energy surfaces are now recognized as pivotal in describing the non-radiative decay of electronically excited molecules following photon absorption. This opinion piece illustrates how non-BO effects provide photostability to many biomolecules when exposed to ultraviolet radiation, yet in many other cases are key to facilitating ‘reactive’ outcomes like isomerization and bond fission. The examples are presented in order of decreasing molecular complexity, spanning studies of organic sunscreen molecules in solution, through two families of heteroatom containing aromatic molecules and culminating with studies of isolated gas phase H2O molecules that afford some of the most detailed insights yet available into the cascade of non-adiabatic couplings that enable the evolution from photoexcited molecule to eventual products. This article is part of the theme issue 'Chemistry without the Born–Oppenheimer approximation'.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77960540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The choice of the electronic representation in on-the-fly quantum dynamics is crucial. The adiabatic representation is appealing since adiabatic states are readily available from quantum chemistry packages. The nuclear wavepackets are then expanded in a basis of Gaussian functions, which follow trajectories to explore the potential energy surfaces and approximate the potential using a local expansion of the adiabatic quantities. Nevertheless, the adiabatic representation is plagued with severe limitations when conical intersections are involved: the diagonal Born–Oppenheimer corrections (DBOCs) are non-integrable, and the geometric phase effect on the nuclear wavepackets cannot be accounted for unless a model is available. To circumvent these difficulties, the moving crude adiabatic (MCA) representation was proposed and successfully tested in low energy dynamics where the wavepacket skirts the conical intersection. We assess the MCA representation in the case of non-adiabatic transitions through conical intersections. First, we show that using a Gaussian basis in the adiabatic representation indeed exhibits the aforementioned difficulties with a special emphasis on the possibility to regularize the DBOC terms. Then, we show that MCA is indeed able to properly model non-adiabatic transitions. Tests are done on linear vibronic coupling models for the bis(methylene) adamantyl cation and the butatriene cation. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.
{"title":"The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics","authors":"Rosa Maskri, Loïc Joubert-Doriol","doi":"10.1098/rsta.2020.0379","DOIUrl":"https://doi.org/10.1098/rsta.2020.0379","url":null,"abstract":"The choice of the electronic representation in on-the-fly quantum dynamics is crucial. The adiabatic representation is appealing since adiabatic states are readily available from quantum chemistry packages. The nuclear wavepackets are then expanded in a basis of Gaussian functions, which follow trajectories to explore the potential energy surfaces and approximate the potential using a local expansion of the adiabatic quantities. Nevertheless, the adiabatic representation is plagued with severe limitations when conical intersections are involved: the diagonal Born–Oppenheimer corrections (DBOCs) are non-integrable, and the geometric phase effect on the nuclear wavepackets cannot be accounted for unless a model is available. To circumvent these difficulties, the moving crude adiabatic (MCA) representation was proposed and successfully tested in low energy dynamics where the wavepacket skirts the conical intersection. We assess the MCA representation in the case of non-adiabatic transitions through conical intersections. First, we show that using a Gaussian basis in the adiabatic representation indeed exhibits the aforementioned difficulties with a special emphasis on the possibility to regularize the DBOC terms. Then, we show that MCA is indeed able to properly model non-adiabatic transitions. Tests are done on linear vibronic coupling models for the bis(methylene) adamantyl cation and the butatriene cation. This article is part of the theme issue ‘Chemistry without the Born–Oppenheimer approximation’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80595131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A (m+3)-dimensional Einstein–Gauss–Bonnet gravitational model including the Gauss–Bonnet term and the cosmological term Λ is considered. Exact solutions with exponential time dependence of two scale factors, governed by two Hubble-like parameters H>0 and h≠H, corresponding to factor spaces of dimensions m>2 and l=2, respectively, are found. Under certain restrictions on x=h/H, the stability of the solutions in a class of cosmological solutions with diagonal metrics is proved. A subclass of solutions with small enough variation of the effective gravitational constant G is considered and the stability of all solutions from this subclass is shown. This article is part of the theme issue ‘The future of mathematical cosmology, Volume 1’.
{"title":"On stable exponential cosmological solutions with two factor spaces in (1+ m + 2)-dimensional Einstein–Gauss–Bonnet model with Λ-term","authors":"V. Ivashchuk, A. A. Kobtsev","doi":"10.1098/rsta.2021.0177","DOIUrl":"https://doi.org/10.1098/rsta.2021.0177","url":null,"abstract":"A (m+3)-dimensional Einstein–Gauss–Bonnet gravitational model including the Gauss–Bonnet term and the cosmological term Λ is considered. Exact solutions with exponential time dependence of two scale factors, governed by two Hubble-like parameters H>0 and h≠H, corresponding to factor spaces of dimensions m>2 and l=2, respectively, are found. Under certain restrictions on x=h/H, the stability of the solutions in a class of cosmological solutions with diagonal metrics is proved. A subclass of solutions with small enough variation of the effective gravitational constant G is considered and the stability of all solutions from this subclass is shown. This article is part of the theme issue ‘The future of mathematical cosmology, Volume 1’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75218888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
To understand the nature of the birth of our Universe and its eventual demise is a driving force in theoretical physics and astronomy and, indeed, for humanity. A zoo of definitions has appeared in the literature to catalogue different types of cosmological milestones such as ‘Big Bangs’, ‘Big Crunches’, ‘Big Rips’, ‘Sudden Singularities’, ‘Bounces’ and ‘Turnarounds’. Quiescent cosmology is the notion that the Universe commenced in a Big Bang that was highly regular and smooth, and evolved away from this initial isotropy and homogeneity due to gravitational attraction. The quiescent cosmology concept meshes well with Penrose’s ideas regarding gravitational entropy and the clumping of matter, and the associated Weyl Curvature Hypothesis. Conformal frameworks, such as the Isotropic Past Singularity (IPS), have been devised to encapsulate initial and final states for the Universe which are in accordance with these programmes. These geometric definitions are independent of models, coordinates and the equation of state of the source of the gravitational field. Much of the research on cosmological milestones has been focussed on the FRW solutions, many of which possess initial singularities which are isotropic Big Bangs. We analyse here the relationship between cosmological milestones and conformal frameworks for these solutions. We establish the general properties of FRW models which admit these conformal frameworks, including whether they satisfy various energy conditions, and are therefore physically reasonable. These results inform future development of the quiescent cosmology program. This article is part of the theme issue ‘The future of mathematical cosmology, Volume 1’.
{"title":"Cosmological milestones, conformal frameworks and quiescent cosmology","authors":"S. Scott, Philip Threlfall","doi":"10.1098/rsta.2021.0172","DOIUrl":"https://doi.org/10.1098/rsta.2021.0172","url":null,"abstract":"To understand the nature of the birth of our Universe and its eventual demise is a driving force in theoretical physics and astronomy and, indeed, for humanity. A zoo of definitions has appeared in the literature to catalogue different types of cosmological milestones such as ‘Big Bangs’, ‘Big Crunches’, ‘Big Rips’, ‘Sudden Singularities’, ‘Bounces’ and ‘Turnarounds’. Quiescent cosmology is the notion that the Universe commenced in a Big Bang that was highly regular and smooth, and evolved away from this initial isotropy and homogeneity due to gravitational attraction. The quiescent cosmology concept meshes well with Penrose’s ideas regarding gravitational entropy and the clumping of matter, and the associated Weyl Curvature Hypothesis. Conformal frameworks, such as the Isotropic Past Singularity (IPS), have been devised to encapsulate initial and final states for the Universe which are in accordance with these programmes. These geometric definitions are independent of models, coordinates and the equation of state of the source of the gravitational field. Much of the research on cosmological milestones has been focussed on the FRW solutions, many of which possess initial singularities which are isotropic Big Bangs. We analyse here the relationship between cosmological milestones and conformal frameworks for these solutions. We establish the general properties of FRW models which admit these conformal frameworks, including whether they satisfy various energy conditions, and are therefore physically reasonable. These results inform future development of the quiescent cosmology program. This article is part of the theme issue ‘The future of mathematical cosmology, Volume 1’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89868437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Science has a role to play in providing the evidence on both climate change and the solutions to it. In this paper, we look at the nature of expert advice to public policymakers and examine one approach to the synthesis of scientific evidence. We focus on a series of briefings for policymakers that summarize evidence from 12 areas of science and technology which are keys to accelerating progress towards net zero greenhouse gas emissions and resilience to climate change. This article is part of the theme issue ‘Developing resilient energy systems’.
{"title":"Scientific advice for policymakers on climate change: the role of evidence synthesis","authors":"E. Surkovic, David Vigar","doi":"10.1098/rsta.2021.0147","DOIUrl":"https://doi.org/10.1098/rsta.2021.0147","url":null,"abstract":"Science has a role to play in providing the evidence on both climate change and the solutions to it. In this paper, we look at the nature of expert advice to public policymakers and examine one approach to the synthesis of scientific evidence. We focus on a series of briefings for policymakers that summarize evidence from 12 areas of science and technology which are keys to accelerating progress towards net zero greenhouse gas emissions and resilience to climate change. This article is part of the theme issue ‘Developing resilient energy systems’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89689181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
More than 940 million people (13% of the world population) do not have any access to electricity. Most of these people live in rural and remote areas, where the lack of electricity access is significantly damaging the quality of life, economic development and the environment. Distributed energy systems (DESs) (based on clean energy technologies) for energy access offer a potentially important strategy for pursuing environment-friendly sustainable development and poverty alleviation; especially in rural and remote communities. DESs are also helpful in reducing deforestation and greenhouse gas (GHG) emissions as the fossil fuel-based energy production is among the largest contributors to GHG emissions. This paper presents the importance of energy access through DESs for resilient and sustainable development using two projects case studies from Pakistan. The first project case study is based on the Afghan refugee villages, where, currently, there is no electricity access. A baseline survey was conducted to assess the socio-economic conditions and energy demand of the refugees. This assessment is then used to devise clean energy solutions as per the local context. This project aims to improve the quality of life of the refugees by providing energy access. In the second case study, electricity access was provided to the local communities a few years ago. Analyses of primary data collected in this case study show that DES integrated with socio-economic and cultural systems can bring a significantly positive impact on the local communities, advancing all the sustainability development goals. This work concludes that DES can be significantly generative, if effectively integrated into socio-economic processes. This article is part of the theme issue ‘Developing resilient energy systems’.
{"title":"Distributed renewable energy systems for resilient and sustainable development of remote and vulnerable communities","authors":"Tanvir Ahmad, Saddam Ali, Abdul Basit","doi":"10.1098/rsta.2021.0143","DOIUrl":"https://doi.org/10.1098/rsta.2021.0143","url":null,"abstract":"More than 940 million people (13% of the world population) do not have any access to electricity. Most of these people live in rural and remote areas, where the lack of electricity access is significantly damaging the quality of life, economic development and the environment. Distributed energy systems (DESs) (based on clean energy technologies) for energy access offer a potentially important strategy for pursuing environment-friendly sustainable development and poverty alleviation; especially in rural and remote communities. DESs are also helpful in reducing deforestation and greenhouse gas (GHG) emissions as the fossil fuel-based energy production is among the largest contributors to GHG emissions. This paper presents the importance of energy access through DESs for resilient and sustainable development using two projects case studies from Pakistan. The first project case study is based on the Afghan refugee villages, where, currently, there is no electricity access. A baseline survey was conducted to assess the socio-economic conditions and energy demand of the refugees. This assessment is then used to devise clean energy solutions as per the local context. This project aims to improve the quality of life of the refugees by providing energy access. In the second case study, electricity access was provided to the local communities a few years ago. Analyses of primary data collected in this case study show that DES integrated with socio-economic and cultural systems can bring a significantly positive impact on the local communities, advancing all the sustainability development goals. This work concludes that DES can be significantly generative, if effectively integrated into socio-economic processes. This article is part of the theme issue ‘Developing resilient energy systems’.","PeriodicalId":20020,"journal":{"name":"Philosophical Transactions of the Royal Society A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75670495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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