Results 61 to 70 of about 11,353 (143)

Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence. [PDF]

J Am Chem Soc
Vogiatzis KD, Corminboeuf C, Nova A, Jorner K, Kästner J, Meuwly M, Schwaller P, Böttcher V, Drosou M, Fako E, Hoppe H, Ivkovic Z, Iwanojko N, Pantazis DA, Schmid SP, Szenes K, Tetenoire A, Reiher M.   +17 more
europepmc   +1 more source

Integrating neutron vibrational spectroscopy and computer simulation to elucidate structure and dynamics of hydrogen. [PDF]

Struct Dyn
Cheng Y, Ramirez-Cuesta AJ, Martins ML, Liu C.   +3 more
europepmc   +1 more source

Ion-Pair Speciation in Aqueous Alkali Fluorides from Nuclear Magnetic Resonance of ¹⁹F. [PDF]

J Phys Chem B
Musiał M, Miller S, Suiter CL, Klem H, Paulechka E, Schwarz KA, Widegren J, Riccardi D.   +7 more
europepmc   +1 more source

ASAS-NANP SYMPOSIUM: MATHEMATICAL MODELING IN ANIMAL NUTRITION: quantum computing in agricultural sciences: from theory to reality. [PDF]

J Anim Sci
Tedeschi LO.
europepmc   +1 more source

Top 10 ground challenges in microsystems and nanoengineering. [PDF]

Microsyst Nanoeng
Microsystems & Nanoengineering.
europepmc   +1 more source

A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention. [PDF]

Nat Commun
Su Q, Zhu K, Gou Q, Zhang J, Hu R, Li Y, Wang Y, Zhang H, You Z, Jiang L, Kang Y, Wang J, Hsieh CY, Hou T.   +13 more
europepmc   +1 more source

Virtualization as a New Scaling Law for Semiconductor Devices Beyond Geometric Scaling. [PDF]

Small
Wang Z, Chen X, Lin F, Li X, Wang F, Guo S, Yu S, Li L, Huang JK.   +8 more
europepmc   +1 more source

Uncertainty Quantification for <i>In Silico</i> Chemistry. [PDF]

Chem Rev
Frömbgen T, Surzhikova E, Dölz J, Proppe J, Kirchner B, Jacob CR.   +5 more
europepmc   +1 more source

MAPLE: a machine-learning force-field-native platform for automated reaction modeling and enzyme design. [PDF]

Chem Sci
Wang X, Sun Z, Zhang Y, Asam C, Zhu R, Li WL, Wang J.   +6 more
europepmc   +1 more source

Non-Hermitian dynamics in quantum anomalous Hall insulators. [PDF]

Sci Adv
Yi L, Steinebronn E, Rashid AS, Samarth N, El-Ganainy R, Özdemir ŞK, Kayyalha M.   +6 more
europepmc   +1 more source