Research output per year
Research output per year
Fingerprint
Dive into the research topics where Computational Chemical Physics is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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M. Bokdam
- Computational Chemical Physics - Assistant Professor
- MESA+ Institute - Assistant Professor
Person: Academic
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G.H.L.A. Brocks
- Computational Chemical Physics - Associate Professor
- MESA+ Institute - Associate Professor
Person: Academic
Research output
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Analyzing the concentration-dependent Soret coefficient minimum in salt solutions: an overview
Rudani, B. A., Briels, W. J. & Wiegand, S., 31 Jan 2025, In: Physical chemistry chemical physics. 27, 9, p. 4746-4755 10 p.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile10 Downloads (Pure) -
Causing and Curing Headaches with Quantum Monte Carlo: Accurate Forces for Machine-Learned Force Fields
Slootman, E., Charkin-Gorbulin, A., Shinde, R. L., Moroni, S., Poltavsky, I., Tkatchenko, A. & Filippi, C., 9 Jan 2025. 1 p.Research output: Contribution to conference › Poster › Academic
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Emergence of Imaginary Time Crystals in the non-Hermitian Su-Schrieffer-Heeger model
Slootman, E., Eek, L., Smith, C. M. & Arouca, R., 27 Apr 2025, ArXiv.org.Research output: Working paper › Preprint › Academic
Open AccessFile1 Downloads (Pure)
Datasets
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aiida-champ plugin to handle workflow of CHAMP using AiiDA.
Ravindra, S. (Creator), Zenodo, 13 Sept 2024
DOI: 10.5281/zenodo.13758831, https://zenodo.org/records/13758832 and one more link, https://doi.org/10.5281/zenodo.13758832 (show fewer)
Dataset
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Webinar: TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale
Casula, M. (Creator), Alavi, A. (Creator), Pernal, K. (Creator), Nakano, K. (Creator), Ammar, A. (Creator), Shinde, R. (Creator), Giner, E. (Creator) & Pittonet, S. (Creator), Zenodo, 22 Feb 2024
DOI: 10.5281/zenodo.10692535, https://zenodo.org/record/10692536 and one more link, https://doi.org/10.5281/zenodo.10692536 (show fewer)
Dataset
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slurm-mongo
Ravindra, S. (Creator), Zenodo, 13 Sept 2024
DOI: 10.5281/zenodo.13759120, https://zenodo.org/records/13759120 and 2 more links, https://zenodo.org/records/13759121, https://doi.org/10.5281/zenodo.13759121 (show fewer)
Dataset
Prizes
Activities
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Causing and Curing Headaches with Quantum Monte Carlo: Accurate Forces for Machine-Learned Force Fields
Slootman, E. (Speaker)
22 Jan 2025Activity: Talk or presentation › Oral presentation
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Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software
Shinde, R. L. (Speaker)
12 Dec 2024Activity: Talk or presentation › Invited talk
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Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: A Study on Fluxional Molecules
Slootman, E. (Speaker)
4 Dec 2024Activity: Talk or presentation › Oral presentation