output
20082024
most citedAb-initio quantum chemistry with neural-network wavefunctions

129 citations

Showing 2024Show all

9 papers · 1 filter

physics.chem-ph2024★ 15 cited

Room-temperature decomposition of the ethaline deep eutectic solvent

Julia H. Yang, Amanda Whai Shin Ooi, Zachary A. H. Goodwin +5

Environmentally-benign, non-toxic electrolytes with combinatorial design spaces are excellent candidates for green solvents, green leaching agents, and carbon capture sources. Here…

quant-ph2024★ 4 cited

Artificially intelligent Maxwell's demon for optimal control of open quantum systems

Paolo Andrea Erdman, Robert Czupryniak, Bibek Bhandari +4

Feedback control of open quantum systems is of fundamental importance for practical applications in various contexts, ranging from quantum computation to quantum error correction a…

cs.AI2024★ 92 cited

DynamoLLM: Designing LLM Inference Clusters for Performance and Energy Efficiency

Jovan Stojkovic, Chaojie Zhang, Íñigo Goiri +2

The rapid evolution and widespread adoption of generative large language models (LLMs) have made them a pivotal workload in various applications. Today, LLM inference clusters rece…

cs.CL2024★ 2 cited

Preliminary WMT24 Ranking of General MT Systems and LLMs

Tom Kocmi, Eleftherios Avramidis, Rachel Bawden +18

This is the preliminary ranking of WMT24 General MT systems based on automatic metrics. The official ranking will be a human evaluation, which is superior to the automatic ranking…

q-bio.BM2024★ 65 cited

The need to implement FAIR principles in biomolecular simulations

Rommie Amaro, Johan Åqvist, Ivet Bahar +125

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…

cond-mat.stat-mech2024★ 10 cited

Efficient mapping of phase diagrams with conditional Boltzmann Generators

Maximilian Schebek, Michele Invernizzi, Frank Noé +1

The accurate prediction of phase diagrams is of central importance for both the fundamental understanding of materials as well as for technological applications in material science…