Zobrazeno 1 - 10
of 173
pro vyhledávání: '"Bulatov, Vasily"'
Autor:
Kurniawan, Yonatan, Neilsen, Tracianne B., Francis, Benjamin L., Stankovic, Alex M., Wen, Mingjian, Nikiforov, Ilia, Tadmor, Ellad B., Bulatov, Vasily V., Lordi, Vincenzo, Transtrum, Mark K.
The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applications require inferring parameters only as a means to predict other quant
Externí odkaz:
http://arxiv.org/abs/2411.02740
Autor:
Jasperson, Benjamin A., Nikiforov, Ilia, Samanta, Amit, Zhou, Fei, Tadmor, Ellad B., Lordi, Vincenzo, Bulatov, Vasily V.
A simulation can stand its ground against experiment only if its prediction uncertainty is known. The unknown accuracy of interatomic potentials (IPs) is a major source of prediction uncertainty, severely limiting the use of large-scale classical ato
Externí odkaz:
http://arxiv.org/abs/2406.05146
Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model
We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with respect to
Externí odkaz:
http://arxiv.org/abs/2310.01678
The computational method of discrete dislocation dynamics (DDD), used as a coarse-grained model of true atomistic dynamics of lattice dislocations, has become of powerful tool to study metal plasticity arising from the collective behavior of dislocat
Externí odkaz:
http://arxiv.org/abs/2309.14450
Autor:
Hsu, Tim, Sadigh, Babak, Bertin, Nicolas, Park, Cheol Woo, Chapman, James, Bulatov, Vasily, Zhou, Fei
We propose an effective method for removing thermal vibrations that complicate the task of analyzing complex dynamics in atomistic simulation of condensed matter. Our method iteratively subtracts thermal noises or perturbations in atomic positions us
Externí odkaz:
http://arxiv.org/abs/2212.02421
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been developed, bu
Externí odkaz:
http://arxiv.org/abs/2210.14343
When a material is plastically deformed the majority of mechanical work is dissipated as heat, and the fraction of plastic work converted into heat is known as the Taylor-Quinney coefficient (TQC). Large-scale molecular dynamics simulations were perf
Externí odkaz:
http://arxiv.org/abs/2205.04653
Autor:
Iyer, Gopal R., Kumar, Shashikant, Borda, Edgar Josué Landinez, Sadigh, Babak, Hamel, Sebastien, Bulatov, Vasily, Lordi, Vincenzo, Samanta, Amit
Publikováno v:
In Computational Materials Science January 2025 246
Publikováno v:
In Acta Materialia 1 June 2024 271