1. Insights into the mechanisms of optical cavity-modified ground-state chemical reactions 

   Ke Y.; Richardson J.O. (2024)

   The Journal of chemical physics

   In this work, we systematically investigate the mechanisms underlying the rate modification of ground-state chemical reactions in an optical cavity under vibrational strong-coupling conditions. We employ a symmetric double-well description of the molecular potential energy surface and a numerically exact open quantum system approach-the hierarchical equations of motion in twin space with a matrix product state solver. Our results predict ...

   Journal Article

2. SCINE-Software for chemical interaction networks 

   Weymuth T.; Unsleber J.P.; Türtscher P.L.; et al. (2024)

   The Journal of chemical physics

   The software for chemical interaction networks (SCINE) project aims at pushing the frontier of quantum chemical calculations on molecular structures to a new level. While calculations on individual structures as well as on simple relations between them have become routine in chemistry, new developments have pushed the frontier in the field to high-throughput calculations. Chemical relations may be created by a search for specific molecular ...

   Journal Article

3. Changes in above- versus belowground biomass distribution in permafrost regions in response to climate warming 

   Yun H.; Ciais P.; Zhu Q.; et al. (2024)

   Proceedings of the National Academy of Sciences of the United States of America

   Permafrost regions contain approximately half of the carbon stored in land ecosystems and have warmed at least twice as much as any other biome. This warming has influenced vegetation activity, leading to changes in plant composition, physiology, and biomass storage in aboveground and belowground components, ultimately impacting ecosystem carbon balance. Yet, little is known about the causes and magnitude of long-term changes in the above- ...

   Journal Article

4. Lesions to the mediodorsal thalamus, but not orbitofrontal cortex, enhance volatility beliefs linked to paranoia 

   Suthaharan P.; Thompson S.L.; Rossi-Goldthorpe R.A.; et al. (2024)

   Cell Reports

   Beliefs—attitudes toward some state of the environment—guide action selection and should be robust to variability but sensitive to meaningful change. Beliefs about volatility (expectation of change) are associated with paranoia in humans, but the brain regions responsible for volatility beliefs remain unknown. The orbitofrontal cortex (OFC) is central to adaptive behavior, whereas the magnocellular mediodorsal thalamus (MDmc) is essential ...

   Journal Article

5. Experiments as DTs 

   Grübel J. (2024)

   Handbook of Digital Twins

   DTs (DTs) have become the buzzword of the decade, permeating research, industry and even governance as indicated by Gartner’s hype measure [47]. At the same time, DTs are highly under-specified and each DT is based on a slightly different conceptualisation. So far, most DTs have focused on the digitalisation of crucial components of a system [18]. More recent work has unveiled a methodology to describe the five core components to construct ...

   Book Chapter

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