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Andrey Badanin

Publications and source records attributed to Andrey Badanin.

At least 19 recordsLinked to original sources

On the Convergence of Metadynamics with Gaussian Hills

Metadynamics is a class of enhanced-sampling methods that is widely used in molecular modeling. Here, we consider metadynamics with a one-dimensional collective variable and explore the limitations of using Gaussian hills in light of existing convergence results. We reduce the corresponding evolution problem to a replicator-type differential equation and analyze its long-time behavior. For a periodic collective variable, we prove the convergence of metadynamics. However, the situation is fundamentally different when the collective variable is defined on a finite interval. In this case, the stationary solution only exists in the weak sense as a finite atomic measure. The solution to the differential equation weakly converges to it. Consequently, metadynamics is ineffective due to the absence of a clear quasi-stationary state. A quasi-stationary, transient solution can only be captured in the "INTERVAL" framework if the free energy outside the finite interval remains nearly constant across sufficiently large regions compared to $\sigma$.

math-ph

Inverse problem for the divisor of the good Boussinesq equation

A third-order operator with periodic coefficients is an L-operator in the Lax pair for the Boussinesq equation on a circle. The projection of the divisor of the Floquet solution poles for this operator coincides with the spectrum of the three-point Dirichlet problem. The sign of the norming constant of the three-point problem determines the sheet of the Riemann surface on which the pole lies. We solve the inverse problem for a third-order operator with three-point Dirichlet conditions when the spectrum and norming constant are known. We construct a mapping from the set of coefficients to the set of spectral data and prove that this mapping is an analytic bijection in the neighborhood of zero.

math-ph

Asymptotics of the divisor for the good Boussinesq equation

We consider a third order operator under the three-point Dirichlet condition. Its spectrum is the so-called auxiliary spectrum for the good Boussinesq equation, as well as the Dirichlet spectrum for the Schrödinger operator on the unit interval is the auxiliary spectrum for the periodic KdV equation. The auxiliary spectrum is formed by projections of the points of the divisor onto the spectral plane. We estimate the spectrum and the corresponding norming constants in terms of small operator coefficients. This work is the first in a series of papers devoted to solving the inverse problem for the Boussinesq equation.

math-ph

Inverse problem for the L-operator in the Lax Pair of the Boussinesq equation on the circle

We consider a third-order non-self-adjoint operator, which is an $L$-operator in the Lax pair for the Boussinesq equation on the circle. We construct a mapping from the set of operator coefficients to the set of spectral data, similar to the corresponding mapping for the Hill operator constructed by E. Korotyaev. We prove that in a neighborhood of zero our mapping is analytic and one-to-one.

math-ph

Inverse problem for 3-rd order operators under the 3-point Dirichlet conditions

We solve an inverse problem for a third order differential operator under the 3-point Dirichlet conditions. The third-order operator is an $L$-operator in the Lax pair for the good Boussinesq equation. We construct the mapping from the set of the coefficients to the set of spectral data. This mapping is an analytic bijection on a neighborhood of the zero.

math-ph

Mc'Kean's transformation for 3-rd order operators

We consider a non-self-adjoint third order operator $(y''+py)'+py'+qy$ with 1-periodic coefficients $p,q$. This operator is the L-operator in the Lax pair for the good Boussinesq equation on the circle. In 1981, McKean introduced a transformation that reduces the spectral problem for this operator to a spectral problem for the Hill operator with a potential that depends analytically on the energy. In the present paper we are studying this transformation.

math-ph

Hill's operators with the potentials analytically dependent on energy

We consider Schrödinger operators on the line with potentials that are periodic with respect to the coordinate variable and real analytic with respect to the energy variable. We prove that if the imaginary part of the potential is bounded in the right half-plane, then the high energy spectrum is real, and the corresponding asymptotics are determined. Moreover, the Dirichlet and Neumann problems are considered. These results are used to analyze the good Boussinesq equation.

math-ph

Third order operators with three-point conditions associated with Boussinesq's equation

We consider a non-self-adjoint third order operator on the interval $[0,2]$ with real 1-periodic coefficients and three-point Dirichlet conditions at the points 0, 1 and 2. The eigenvalues of this operator consist an auxiliary spectrum for the inverse spectral problem associated with the good Boussinesq equation. We determine eigenvalue asymptotics at high energy and the trace formula for the operator.

math-ph

Resonances of 4-th Order Differential Operators

We consider fourth order ordinary differential operator with compactly supported coefficients on the line. We determine asymptotics of the number of resonances in complex discs at large radius. We consider resonances of an Euler-Bernoulli operator on the real line with the positive coefficients which are constants outside some finite interval. We show that the Euler-Bernoulli operator has no eigenvalues and resonances iff the positive coefficients are constants on the whole axis.

math-ph

Resonances for Euler-Bernoulli operator on the half-line

We consider resonances for fourth order differential operators on the half-line with compactly supported coefficients. We determine asymptotics of a counting function of resonances in complex discs at large radius, describe the forbidden domain for resonances and obtain trace formulas in terms of resonances. We apply these results to the Euler-Bernoulli operator on the half-line. The coefficients of this operator are positive and constants outside a finite interval. We show that this operator does not have any eigenvalues and resonances iff its coefficients are constants on the whole half-line.

math-ph

Asymptotics of determinants of 4-th order operators at zero

We consider fourth order ordinary differential operators with compactly supported coefficients on the half-line and on the line. The Fredholm determinant for this operator is an analytic function in the whole complex plane without zero. We describe the determinant at zero. We show that in the generic case it has a pole of order 4 in the case of the line and of order 1 in the case of the half-line.

math-ph

Inverse problems and sharp eigenvalue asymptotics for Euler-Bernoulli operators

We consider Euler-Bernoulli operators with real coefficients on the unit interval. We prove the following results: i) Ambarzumyan type theorem about the inverse problems for the Euler-Bernoulli operator. ii) The sharp asymptotics of eigenvalues for the Euler-Bernoulli operator when its coefficients converge to the constant function. iii) The sharp eigenvalue asymptotics both for the Euler-Bernoulli operator and fourth order operators (with complex coefficients) on the unit interval at high energy.

math-ph

Laplacians on periodic discrete graphs

We consider Laplacians on $\Z^2$-periodic discrete graphs. The following results are obtained: 1) The Floquet-Bloch decomposition is constructed and basic properties are derived. 2) The estimates of the Lebesgue measure of the spectrum in terms of geometric parameters of the graph are obtained. 3) The spectrum of the Laplacian is described, when the so-called fundamental graph consists of one or two vertices and any number of edges. 4) We consider the hexagonal lattice perturbed by adding one edge to the fundamental graph. There exist two cases: a) if the perturbed hexagonal lattice is bipartite, then the spectrum of the perturbed Laplacian coincides with the spectrum $[-1,1]$ for the unperturbed case, b) if the perturbed hexagonal lattice is not bipartite, then there is a gap in the spectrum of the perturbed Laplacian. Moreover, some deeper results are obtained for the perturbation of the square lattice.

math.SP

Spectral asymptotics for the third order operator with periodic coefficients

We consider the self-adjoint third order operator with 1-periodic coefficients on the real line. The spectrum of the operator is absolutely continuous and covers the real line. We determine the high energy asymptotics of the periodic, anti-periodic eigenvalues and of the branch points of the Lyapunov function. Furthermore, in the case of small coefficients we show that either whole spectrum has multiplicity one or the spectrum has multiplicity one except for a small spectral nonempty interval with multiplicity three. In the last case the asymptotics of this small interval is determined.

math-ph

Third order operator with small periodic coefficients

We consider the third order operator with small 1-periodic coefficients on the real line. The spectrum of the operator is absolutely continuous and covers all real line. Under the minimal conditions on the coefficients we show that there are two possibilities: 1) The spectrum has multiplicity one except for a small spectral nonempty interval with multiplicity three. Moreover, the asymptotics of the small interval is determined. 2) All spectrum has multiplicity one only.

math-ph